data_2n3d_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 2n3d _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 40' ' ' SER . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.732 0.301 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 tt -141.86 110.91 6.28 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.581 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 10.1 mp -100.05 113.17 25.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.1 m -52.16 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.559 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.36 -28.46 22.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -72.96 24.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.322 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.559 ' H ' ' C ' ' A' ' 44' ' ' ALA . 45.4 mt -122.88 142.75 50.44 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.361 0.6 . . . . 0.0 111.026 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.29 135.03 38.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.4 mm -87.59 144.79 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.749 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.28 138.36 43.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.47 -95.12 0.51 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.41 141.29 6.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -135.66 145.78 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -109.79 169.34 8.78 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.466 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.32 -179.6 48.76 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -144.66 149.71 36.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.53 -155.25 27.97 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -88.88 134.0 34.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.961 0.41 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -119.08 107.23 13.24 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.551 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -92.36 113.75 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.1 tt -129.38 127.84 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.173 0.511 . . . . 0.0 111.823 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' OG1' ' A' ' 78' ' ' THR . 10.3 p-10 -121.81 48.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.0 -159.63 8.21 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.402 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 m -106.35 134.87 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.333 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.67 120.33 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 120.921 0.391 . . . . 0.0 110.742 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.84 90.79 3.31 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.3 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.7 -139.65 8.4 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.91 158.86 17.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.5 t -145.75 130.61 12.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -128.73 121.88 29.42 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.881 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.43 ' CG2' ' H ' ' A' ' 71' ' ' GLY . 9.3 p -167.73 173.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.058 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.43 ' H ' ' CG2' ' A' ' 70' ' ' VAL . . . -78.96 -68.62 1.47 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.661 -0.975 . . . . 0.0 110.661 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -112.19 142.34 44.78 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tt -135.14 114.17 12.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 111.418 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.8 m -106.34 118.45 36.69 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.713 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.8 t -83.23 108.4 15.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.295 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.53 -161.52 0.01 OUTLIER Glycine 0 CA--C 1.526 0.753 0 CA-C-N 115.177 -0.92 . . . . 0.0 113.093 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -84.45 -20.83 31.14 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 90.4 m -66.86 -27.2 67.34 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.802 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.92 38.99 66.56 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-O 118.862 -0.965 . . . . 0.0 114.069 175.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -115.58 114.53 25.06 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.156 1.478 . . . . 0.0 110.89 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.88 113.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.396 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -131.64 107.94 9.17 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.347 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.79 -155.86 26.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -113.85 115.73 28.19 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.4 p -109.56 130.69 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.189 0.518 . . . . 0.0 111.282 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -121.01 118.08 28.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.488 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.22 176.65 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.76 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.437 ' N ' ' OE1' ' A' ' 88' ' ' GLU . 1.3 mm-40 -91.42 -36.43 13.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.734 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.72 144.81 25.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.1 m -147.1 140.78 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 121.169 0.509 . . . . 0.0 111.708 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -117.09 110.52 18.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.022 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -88.15 134.9 26.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.547 . . . . 0.0 112.032 -178.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -135.19 18.66 3.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.58 -154.11 7.23 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.121 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 59.8 mtt-85 -108.21 133.47 52.41 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.15 0.976 . . . . 0.0 113.36 -177.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.03 108.66 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.656 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.9 128.3 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.973 0.416 . . . . 0.0 110.839 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.34 -92.69 0.13 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.12 136.16 6.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 110.389 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.406 HG22 HD11 ' A' ' 100' ' ' ILE . 5.8 tt -131.47 139.58 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.2 m -133.42 106.56 7.55 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.75 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.0 m -162.14 139.29 8.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 0.0 110.689 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -68.58 -23.52 64.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -126.12 127.43 45.76 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.716 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -146.88 136.58 16.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.61 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -140.37 115.01 9.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.793 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' ' 107' ' ' LEU . 10.7 mp -84.35 95.5 8.76 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 111.144 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 92' ' ' VAL . 20.0 m-85 -94.21 161.58 14.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.724 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.637 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.6 178.59 6.26 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.891 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.0 p -70.82 27.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.637 ' H ' ' C ' ' A' ' 109' ' ' GLY . 17.1 p -52.05 169.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.678 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.519 ' CD2' ' O ' ' A' ' 129' ' ' PHE . 6.6 t80 -149.43 145.93 27.19 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.231 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 t -138.76 125.67 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.928 0.394 . . . . 0.0 110.717 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -133.94 108.31 8.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.681 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.16 -159.89 29.71 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -88.37 117.29 27.19 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.4 mt -105.41 142.44 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.196 0.522 . . . . 0.0 110.888 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.3 m -144.47 102.12 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.587 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.461 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -147.44 143.81 28.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.02 0.438 . . . . 0.0 111.337 -179.247 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -82.5 -45.18 15.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.822 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -117.05 124.83 50.23 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.628 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.91 149.32 48.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.185 0.517 . . . . 0.0 111.182 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -139.51 130.46 26.29 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.889 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.4 mmt -105.1 123.59 48.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -115.23 147.21 40.64 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.976 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -39.74 118.87 0.91 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.937 0.398 . . . . 0.0 110.839 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 116.08 3.99 18.99 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.66 115.04 27.72 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.828 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.519 ' O ' ' CD2' ' A' ' 112' ' ' TYR . 79.0 m-85 -130.37 102.41 6.17 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 18.4 p90 -132.61 123.3 26.16 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -120.42 99.73 6.74 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.53 176.36 33.9 Favored Glycine 0 C--N 1.319 -0.411 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -83.47 108.44 16.62 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.0 m -98.74 140.77 32.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.616 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.109 179.755 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.422 ' OG ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 tp -137.81 110.06 7.36 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.837 0.351 . . . . 0.0 111.071 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 9.6 mp -101.93 123.1 45.27 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.138 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 m -58.82 -172.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.557 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.84 -25.99 20.75 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.791 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.47 29.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.39 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.557 ' H ' ' C ' ' A' ' 44' ' ' ALA . 75.9 mt -126.04 128.46 47.45 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.318 0.58 . . . . 0.0 111.147 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.42 109.72 13.07 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.464 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.7 mt -86.15 136.8 22.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.037 0.446 . . . . 0.0 111.232 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -135.54 139.46 43.96 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.351 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.13 -110.91 4.0 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.33 101.86 0.21 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.46 147.87 4.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.51 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.9 p -123.01 151.24 42.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.406 ' H ' HH21 ' A' ' 69' ' ' ARG . . . -169.77 -177.93 40.53 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -143.54 -173.38 3.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.807 0.337 . . . . 0.0 110.483 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 53.99 -141.08 33.85 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -106.11 139.83 40.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.814 0.34 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.422 ' CD1' ' OG ' ' A' ' 40' ' ' SER . 51.1 tp -132.57 110.47 10.49 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -95.76 103.14 15.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.703 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' GLY . 19.4 tt -108.81 139.61 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.302 0.572 . . . . 0.0 111.645 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' OG1' ' A' ' 78' ' ' THR . 36.5 t70 -129.61 53.64 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.862 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -149.17 -159.81 8.79 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.86 136.98 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 110.568 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.39 125.8 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 121.01 0.433 . . . . 0.0 110.852 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -124.57 110.25 14.22 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.77 -156.63 25.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.61 140.62 30.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.952 0.406 . . . . 0.0 110.245 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -128.09 112.28 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.505 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.46 ' C ' ' HE ' ' A' ' 69' ' ' ARG . 1.2 tmm_? -112.32 116.0 29.67 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.44 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -165.04 169.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.43 -67.79 1.78 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -124.7 119.83 30.07 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.352 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.9 tp -103.61 121.87 43.81 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.67 118.25 34.51 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.622 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.51 109.13 16.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.051 0.453 . . . . 0.0 110.859 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -54.62 -157.5 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 CA-C-N 114.701 -1.136 . . . . 0.0 113.075 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 15.4 mt-10 -84.37 -23.59 30.06 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -178.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.444 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 7.4 p -66.98 -26.62 66.9 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 119.044 -1.062 . . . . 0.0 108.954 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.67 39.19 75.02 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.032 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 78' ' ' THR . 63.4 m80 -108.42 111.45 23.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.364 1.582 . . . . 0.0 110.766 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -149.6 112.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.768 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -138.97 106.76 5.64 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.202 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.87 -155.39 26.45 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.4 p -99.11 116.06 30.46 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.44 134.11 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.66 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -132.31 118.05 18.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.053 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.47 178.03 7.05 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.223 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -94.57 -42.3 8.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.531 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.01 139.16 51.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.47 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.98 111.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -105.59 107.51 18.54 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.6 t -87.81 135.56 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.276 0.56 . . . . 0.0 112.336 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -135.98 20.27 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.0 -153.67 6.91 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.183 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 27.5 mtm180 -108.02 140.03 41.78 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.367 1.08 . . . . 0.0 113.716 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.26 128.19 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 114.025 -1.443 . . . . 0.0 108.973 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.8 m -138.94 116.16 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 111.347 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.97 -89.29 0.12 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -166.81 147.12 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.2 pt -146.49 141.91 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 111.098 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.8 m -132.89 118.5 19.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.852 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.1 m -158.58 164.48 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.185 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.522 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.0 mptt -75.89 -47.14 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.559 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -134.3 134.23 41.64 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.734 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.14 132.77 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -123.52 132.54 53.93 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.812 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 107' ' ' LEU . 8.9 mp -89.73 96.39 10.67 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.338 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 92' ' ' VAL . 16.4 m-85 -93.64 161.77 14.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.636 178.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.657 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 66.47 176.8 7.57 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.866 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -70.23 28.17 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.657 ' H ' ' C ' ' A' ' 109' ' ' GLY . 20.6 t -52.68 169.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.9 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.435 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 5.1 t80 -149.43 146.43 27.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.046 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.55 121.86 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 120.902 0.382 . . . . 0.0 110.674 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -133.32 108.75 8.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.67 -160.0 29.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.33 122.03 31.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.721 0.296 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.74 133.83 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.043 0.449 . . . . 0.0 110.704 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.6 m -131.03 97.14 4.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.514 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.477 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -144.89 161.66 38.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.999 0.428 . . . . 0.0 111.114 -178.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -99.43 -45.37 5.86 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.728 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -118.07 134.43 54.99 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.783 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.0 149.76 31.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 111.025 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.51 145.24 44.87 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.848 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.546 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 21.7 mmt -117.4 113.06 21.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -102.9 156.58 17.56 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.37 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.0 t -44.58 121.38 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 112.25 3.36 26.03 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.59 115.56 28.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.772 0.32 . . . . 0.0 111.366 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 48.5 m-85 -129.52 101.79 6.1 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.546 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 21.6 p90 -132.6 120.54 21.94 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -120.6 100.42 7.12 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.8 176.28 33.36 Favored Glycine 0 C--N 1.318 -0.431 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -82.48 108.8 16.16 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 25.1 t -85.26 146.79 26.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.01 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.546 -179.829 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 10.4 mp -102.15 120.95 41.29 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.348 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 50.2 mt -116.37 116.1 27.1 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.314 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.413 ' HG ' ' H ' ' A' ' 45' ' ' ASP . 6.4 p -61.93 -168.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -84.26 -26.01 28.95 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.413 ' H ' ' HG ' ' A' ' 43' ' ' SER . 69.1 m-20 -68.67 7.48 0.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.0 mm? -101.89 131.51 48.21 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.322 0.582 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 109.74 9.34 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.925 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.8 mt -86.51 142.37 13.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.944 0.402 . . . . 0.0 110.783 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -136.07 140.61 43.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.593 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.1 -90.78 1.52 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.92 119.29 0.54 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -101.79 151.24 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.612 0.244 . . . . 0.0 110.371 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 128.27 24.82 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.869 0.366 . . . . 0.0 110.556 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.25 109.09 0.24 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -53.85 174.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.754 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.12 -173.56 23.42 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -89.94 134.47 34.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.9 tp -130.46 106.77 8.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.91 0.386 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.92 101.92 13.48 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 76' ' ' GLY . 12.4 tt -113.34 130.9 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.337 0.589 . . . . 0.0 112.334 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' O ' ' OG1' ' A' ' 78' ' ' THR . 5.5 p-10 -122.78 60.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.92 -158.35 8.77 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.44 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.4 t -105.54 113.08 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.464 -0.368 . . . . 0.0 110.631 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.5 p -115.33 121.08 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 121.058 0.456 . . . . 0.0 110.204 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -124.47 132.23 53.49 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.51 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.85 -157.68 18.3 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.4 118.67 31.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.835 0.35 . . . . 0.0 110.611 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 t -109.67 120.21 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.679 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -118.16 111.9 19.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 71' ' ' GLY . 75.7 t -154.33 161.76 2.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 110.617 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.465 ' N ' ' CG1' ' A' ' 70' ' ' VAL . . . -70.54 -49.81 29.05 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -134.14 119.04 18.38 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.67 113.87 26.52 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.3 m -105.44 120.62 42.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.713 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.95 108.16 15.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.08 0.467 . . . . 0.0 110.586 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -53.53 -158.47 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 CA-C-N 114.904 -1.044 . . . . 0.0 113.216 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -84.88 -23.66 28.86 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 7.6 m -66.86 -25.96 66.66 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.137 -1.025 . . . . 0.0 109.087 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.59 38.58 71.93 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-O 118.768 -1.018 . . . . 0.0 114.523 175.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 78' ' ' THR . 12.5 m80 -112.61 113.28 25.35 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.335 1.567 . . . . 0.0 110.474 178.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.6 t -146.65 115.68 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.52 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -139.34 108.02 5.92 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.607 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.89 -155.53 26.59 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -102.15 115.91 31.55 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.8 t -103.15 134.91 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 121.051 0.453 . . . . 0.0 111.33 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -133.87 117.84 17.27 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.572 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.32 177.29 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.15 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -94.26 -43.4 8.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.08 140.65 50.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.277 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.45 111.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.585 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -103.87 105.68 15.95 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' A' ' 108' ' ' TYR . 51.7 t -88.56 136.49 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.205 0.526 . . . . 0.0 111.648 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -136.15 20.92 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.02 -151.07 5.99 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.676 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' GLY . 34.9 mtp180 -107.79 133.89 51.53 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.934 0.873 . . . . 0.0 112.991 -177.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 p -139.77 126.83 24.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.723 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.75 127.57 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.613 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.28 -96.97 0.17 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.76 133.52 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.06 138.26 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.618 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.5 m -133.21 139.42 46.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.373 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.466 ' OG ' ' CG2' ' A' ' 105' ' ' VAL . 7.1 p -172.15 172.36 4.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.468 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.7 mptt -82.58 -42.55 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.555 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.639 HE22 ' NE2' ' A' ' 121' ' ' GLN . 7.2 tp-100 -125.91 126.26 44.11 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.449 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.466 ' CG2' ' OG ' ' A' ' 102' ' ' SER . 92.3 t -132.88 128.96 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -131.02 119.21 21.7 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.908 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 9.2 mp -86.57 95.76 9.86 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.182 0.515 . . . . 0.0 110.843 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.52 ' CD2' ' OE2' ' A' ' 125' ' ' GLU . 16.4 m-85 -93.95 162.65 13.81 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.289 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.638 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.17 -159.55 4.92 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.269 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 t -67.36 31.53 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.219 -0.49 . . . . 0.0 110.217 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.638 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.1 p -45.49 134.54 6.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.402 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 129' ' ' PHE . 49.3 t80 -138.03 116.75 12.23 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.072 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -121.45 120.56 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 120.985 0.422 . . . . 0.0 110.71 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -132.94 105.68 7.24 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.67 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.45 -154.12 25.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -92.29 116.17 28.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.652 0.263 . . . . 0.0 110.468 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.6 tt -120.16 134.39 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.336 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.2 m -131.96 132.86 43.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.509 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.498 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -170.28 168.82 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.552 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -100.42 -36.55 9.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.639 ' NE2' HE22 ' A' ' 104' ' ' GLN . 22.1 mt-30 -126.44 133.14 51.31 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.0 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.23 149.28 44.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.416 . . . . 0.0 110.851 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.13 137.39 44.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.778 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.613 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.3 mmt -113.59 124.82 53.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.52 ' OE2' ' CD2' ' A' ' 108' ' ' TYR . 24.3 tt0 -120.44 151.91 38.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.164 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -40.06 137.02 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.848 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 93.92 1.68 65.2 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.24 116.27 28.69 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.66 0.267 . . . . 0.0 111.307 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.415 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 27.2 m-85 -130.43 103.5 6.7 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.613 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 3.6 p90 -132.74 119.22 20.05 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -120.06 100.17 7.04 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.95 176.81 33.31 Favored Glycine 0 C--N 1.32 -0.328 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -81.76 109.34 16.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.4 t -89.96 112.98 24.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.755 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.443 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.714 0.292 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.5 tp -135.74 126.74 27.8 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.348 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -118.1 136.36 53.63 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.455 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -64.61 -178.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.557 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.55 -18.06 27.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.09 25.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.187 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.557 ' H ' ' C ' ' A' ' 44' ' ' ALA . 12.7 mt -128.02 142.05 51.34 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.391 0.615 . . . . 0.0 110.951 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.2 p -136.61 128.19 28.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.18 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.428 HD11 HG21 ' A' ' 48' ' ' ILE . 16.2 mm -86.7 136.6 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.862 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -134.87 139.35 44.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.302 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.55 -100.14 2.63 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.89 116.31 0.7 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.51 151.18 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 t -145.17 130.99 19.08 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.606 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . 176.01 93.57 0.09 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 54' ' ' GLY . 19.6 mm-40 -48.37 178.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.766 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.85 -175.98 40.62 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -90.23 116.05 27.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.524 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 tp -116.52 112.05 20.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.552 HE22 ' CA ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -98.27 112.48 24.46 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.289 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.506 ' N ' ' NE2' ' A' ' 59' ' ' GLN . 11.5 tt -118.36 133.5 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.129 0.49 . . . . 0.0 111.621 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 78' ' ' THR . 25.0 t70 -117.27 50.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.065 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.77 -158.26 7.47 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.29 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 t -105.9 111.22 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 114.813 -0.693 . . . . 0.0 110.393 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.7 t -96.7 117.55 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.667 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -124.24 129.27 50.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.363 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.75 -150.95 18.03 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.48 150.45 22.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.851 0.358 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 t -134.56 125.1 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.423 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -128.4 119.69 25.47 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.673 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.48 ' CG2' ' N ' ' A' ' 71' ' ' GLY . 5.2 p -167.99 163.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.662 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.48 ' N ' ' CG2' ' A' ' 70' ' ' VAL . . . -68.7 -50.36 36.95 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -136.27 118.63 15.7 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.898 0.38 . . . . 0.0 110.061 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.0 tp -102.84 115.4 30.52 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.622 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.1 m -110.95 115.82 30.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.869 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.3 t -82.91 110.52 18.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.117 0.484 . . . . 0.0 110.7 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.552 ' CA ' HE22 ' A' ' 59' ' ' GLN . . . -51.62 -158.47 0.01 OUTLIER Glycine 0 CA--C 1.526 0.75 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.767 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 45.5 mt-10 -85.0 -18.31 34.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.552 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 93.6 m -67.27 -26.38 66.52 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.33 -0.948 . . . . 0.0 108.904 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.01 37.99 64.41 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 114.972 -1.013 . . . . 0.0 113.839 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -114.73 113.63 24.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.978 1.389 . . . . 0.0 110.712 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.4 t -147.87 111.48 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.515 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -133.15 107.45 8.2 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.855 0.359 . . . . 0.0 110.205 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.99 -155.6 26.67 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 p -101.54 127.11 48.39 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.8 t -112.15 134.24 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.917 0.389 . . . . 0.0 111.527 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -130.54 118.71 21.47 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.657 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.44 166.49 14.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.19 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -87.1 -32.57 19.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.728 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.67 140.57 48.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.554 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.2 111.27 4.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.043 0.449 . . . . 0.0 111.247 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -110.47 114.96 28.79 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.24 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 108' ' ' TYR . 18.1 t -103.92 136.45 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.159 0.504 . . . . 0.0 111.893 -178.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -129.97 20.06 5.46 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.65 -151.64 6.22 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.401 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 79' ' ' GLY . 64.6 mtm180 -107.01 134.48 50.1 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.289 1.042 . . . . 0.0 113.348 -177.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 p -138.03 128.54 36.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 113.994 -1.457 . . . . 0.0 109.199 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.63 125.79 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 110.969 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.49 -99.03 0.19 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.78 137.33 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 pt -142.36 143.11 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.811 0.338 . . . . 0.0 111.184 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.413 ' O ' ' CG2' ' A' ' 101' ' ' THR . 12.9 t -133.3 121.11 21.94 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.237 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.4 t -160.18 152.61 20.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.519 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.0 mptt -67.92 -33.37 74.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.738 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -134.09 138.06 45.03 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.448 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.3 t -138.61 128.15 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -127.96 110.53 12.62 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.835 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 107' ' ' LEU . 1.0 OUTLIER -87.91 96.85 10.64 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.119 0.485 . . . . 0.0 111.058 -179.144 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 14.4 m-85 -93.56 162.5 13.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.103 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.653 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 68.2 176.12 10.43 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.615 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -71.15 28.22 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.653 ' H ' ' C ' ' A' ' 109' ' ' GLY . 38.3 p -49.33 157.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.133 -0.939 . . . . 0.0 113.307 -177.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -132.94 128.31 36.2 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.921 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.6 t -123.68 121.53 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.989 0.424 . . . . 0.0 110.901 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -134.16 107.61 7.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.99 -163.75 34.99 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -97.75 117.43 32.04 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.793 0.33 . . . . 0.0 110.197 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.6 mt -102.53 142.56 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.189 0.519 . . . . 0.0 110.971 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.9 m -133.45 86.99 2.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.709 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -137.99 161.7 36.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.038 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -99.95 -28.56 13.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.04 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -130.13 129.41 43.49 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.184 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.16 149.12 48.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.38 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.25 120.81 12.51 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.207 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.0 mtp -104.99 126.84 52.49 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 110.713 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 13.3 mp0 -117.15 162.78 17.3 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.322 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.2 p -41.49 122.25 1.88 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.469 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 97.18 9.27 55.88 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.34 116.1 24.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 111.021 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -129.0 106.91 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -131.56 108.74 9.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -125.34 99.12 5.92 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.99 177.89 34.52 Favored Glycine 0 C--N 1.32 -0.346 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -81.44 108.48 15.08 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 t -91.75 129.82 37.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.532 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.828 0.346 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.45 143.14 45.74 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.309 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 mt -119.82 123.71 44.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.5 p -52.52 -179.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.057 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.36 -37.71 14.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.928 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 p-10 -71.49 29.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.801 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.552 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.4 tp -121.15 141.26 50.99 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.243 0.544 . . . . 0.0 111.106 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.6 m -133.2 132.29 41.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.933 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.561 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.5 mp -86.47 142.43 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.621 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -135.65 140.24 44.38 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.924 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.65 -107.13 2.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.43 128.23 1.97 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.3 127.66 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.907 0.384 . . . . 0.0 110.663 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 t -105.25 155.99 18.54 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.64 -162.84 16.45 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -163.84 156.33 17.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.45 -155.28 32.25 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -88.58 135.06 33.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 110.463 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 tp -135.73 111.84 9.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -88.65 101.53 14.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.981 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.1 tp -100.63 104.23 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 121.153 0.501 . . . . 0.0 110.584 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 78' ' ' THR . 31.9 t70 -105.87 41.76 1.35 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 80' ' ' HIS . . . -138.61 -160.13 8.31 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.464 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.7 p -107.32 119.9 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.184 0.516 . . . . 0.0 110.448 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -95.41 118.97 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 48' ' ' ILE . 22.7 tptp -122.78 104.14 9.1 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.46 -145.39 16.35 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 6.1 t70 -108.05 148.55 29.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.515 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.459 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 10.6 p -146.66 135.4 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.645 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -127.15 132.99 50.42 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.332 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.434 ' CG2' ' H ' ' A' ' 71' ' ' GLY . 9.8 p -168.02 174.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.525 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.434 ' H ' ' CG2' ' A' ' 70' ' ' VAL . . . -76.46 -73.69 1.0 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -113.66 119.57 37.9 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.415 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -102.15 122.85 44.95 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.964 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.4 m -116.05 115.41 26.06 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.841 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.7 t -83.24 107.15 14.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.025 0.441 . . . . 0.0 110.847 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -53.12 -158.81 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.507 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -84.9 -17.29 38.32 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.412 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 34.6 m -67.35 -26.88 66.7 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.987 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.75 38.12 63.41 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 114.969 -1.014 . . . . 0.0 114.301 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 62' ' ' GLY . 34.6 m170 -116.03 114.18 24.23 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.991 1.396 . . . . 0.0 110.399 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.9 t -147.77 111.12 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.974 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -139.04 109.48 6.54 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.048 0.452 . . . . 0.0 111.085 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.63 -155.78 26.9 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -100.78 115.71 30.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.48 133.25 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 110.985 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -133.39 117.46 17.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.637 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.3 175.85 11.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 110.932 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.66 -43.43 11.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.308 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.3 146.42 38.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.764 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -146.16 127.32 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.029 0.442 . . . . 0.0 111.477 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -108.92 122.85 48.09 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 108' ' ' TYR . 3.6 t -103.83 136.49 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.331 0.586 . . . . 0.0 112.155 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -135.12 19.82 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.47 -152.09 6.36 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.23 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -107.99 137.34 46.15 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.03 125.01 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-N 113.661 -1.609 . . . . 0.0 108.968 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.18 108.95 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 110.439 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.62 -94.74 0.14 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -169.0 140.12 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 pt -143.89 149.22 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.002 0.43 . . . . 0.0 111.608 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.9 m -132.03 116.92 17.7 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.283 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.2 p -152.56 147.57 26.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -76.08 -21.91 56.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -147.13 135.33 21.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.144 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 p -148.91 146.21 17.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.22 0.533 . . . . 0.0 111.152 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -138.59 117.08 12.06 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.245 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.3 96.76 9.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.067 0.461 . . . . 0.0 111.883 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 92' ' ' VAL . 16.4 m-85 -93.43 161.36 14.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.555 178.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.623 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 68.88 175.92 11.61 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.606 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.9 p -71.26 28.26 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.182 0.515 . . . . 0.0 109.89 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.623 ' H ' ' C ' ' A' ' 109' ' ' GLY . 20.9 p -49.5 158.43 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.403 -0.817 . . . . 0.0 113.145 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -140.59 109.56 6.08 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.628 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.0 t -112.8 116.44 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.067 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.433 ' OD2' ' O ' ' A' ' 131' ' ' GLN . 3.2 t70 -133.78 127.71 33.27 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.548 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 146.28 -172.12 26.96 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -75.91 104.27 6.37 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 17.2 tt -109.79 142.31 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.038 0.447 . . . . 0.0 111.377 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.2 m -132.47 121.36 23.25 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.407 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 155.08 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.717 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 1.1 mp0 -96.95 -46.67 6.12 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.361 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -118.26 128.22 54.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.306 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.15 140.24 39.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.078 0.466 . . . . 0.0 111.0 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -126.32 151.11 47.99 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.73 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.1 mtp -132.85 112.74 12.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.755 0.312 . . . . 0.0 110.843 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 125' ' ' GLU . 5.6 mp0 -101.32 170.62 8.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.176 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.0 t -44.9 129.54 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 91.9 9.24 62.67 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.99 116.71 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.109 0.48 . . . . 0.0 110.788 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -128.62 119.23 24.34 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 130' ' ' PHE . 40.3 t80 -131.96 111.89 11.93 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.433 ' O ' ' OD2' ' A' ' 114' ' ' ASP . 70.7 mm-40 -128.46 97.6 4.77 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 174.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.49 176.67 35.39 Favored Glycine 0 C--N 1.321 -0.26 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -83.19 109.56 17.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.4 t -86.44 126.04 34.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.165 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 135' ' ' LEU . 8.5 mp . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.841 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.805 0.336 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 9.3 mp -101.02 109.95 21.91 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 9.4 mp -93.47 119.75 32.92 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.278 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.9 m -51.07 169.15 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.599 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.556 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -86.67 -24.0 25.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -74.94 27.48 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.979 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' A' ' 44' ' ' ALA . 33.0 mt -126.69 145.57 50.53 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 121.384 0.611 . . . . 0.0 110.986 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.1 p -130.28 133.49 46.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.635 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.451 ' O ' ' O ' ' A' ' 65' ' ' LYS . 19.5 mm -86.48 135.08 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.792 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -134.75 130.97 37.01 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.0 -108.14 3.44 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.96 118.78 0.86 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.09 149.54 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.595 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.59 149.37 52.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.77 64.85 0.08 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -42.31 118.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.657 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 139.6 -166.53 25.55 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -79.41 113.38 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.395 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.2 tp -118.02 107.56 14.18 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.623 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' A' ' 61' ' ' ASP . 1.1 tm0? -98.52 118.24 34.77 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.7 tt -127.92 130.56 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.18 0.514 . . . . 0.0 111.487 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -119.19 48.71 1.44 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.07 -159.42 8.13 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.194 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 p -106.71 125.73 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.519 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -100.18 117.77 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.014 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.3 tppt? -124.65 91.04 3.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.312 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.64 -140.78 9.21 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 11.8 t0 -110.53 152.44 26.38 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.751 0.31 . . . . 0.0 110.683 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.519 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 56.8 t -144.03 126.05 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -126.56 114.25 17.85 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 71' ' ' GLY . 53.9 t -155.99 162.09 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.888 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.496 ' N ' ' CG1' ' A' ' 70' ' ' VAL . . . -60.56 -56.02 26.69 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 91' ' ' GLU . 33.0 ttt180 -130.23 141.43 50.63 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tt -129.08 113.34 15.01 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.892 0.377 . . . . 0.0 110.993 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.521 ' CG2' ' HE ' ' A' ' 72' ' ' ARG . 20.2 p -110.12 121.01 44.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.815 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.09 112.5 20.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.144 0.497 . . . . 0.0 110.943 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -51.92 -161.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.702 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.909 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -84.92 -20.2 31.06 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.167 -0.517 . . . . 0.0 112.362 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 89.2 m -66.95 -26.05 66.64 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.281 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.21 38.62 78.34 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-O 118.801 -1.0 . . . . 0.0 114.869 176.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -115.16 113.98 24.68 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.236 1.518 . . . . 0.0 110.059 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.4 t -147.79 111.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.023 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -136.02 108.22 7.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.888 0.375 . . . . 0.0 110.288 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.1 -155.44 26.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 t -99.48 115.9 30.36 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 t -104.33 131.35 53.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.033 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -132.29 117.6 18.39 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.915 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.98 170.71 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.8 -36.67 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.078 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.22 138.8 50.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.482 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 t -140.91 125.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.173 0.511 . . . . 0.0 111.551 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' OE1' ' NH2' ' A' ' 72' ' ' ARG . 68.3 mt-10 -123.48 106.45 10.63 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -88.81 139.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.203 0.525 . . . . 0.0 111.89 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -135.91 19.22 3.25 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.525 ' N ' ' OG ' ' A' ' 111' ' ' SER . . . -160.87 -151.7 6.32 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.233 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' GLY . 26.6 mtm180 -107.63 133.35 52.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 122.102 0.953 . . . . 0.0 113.169 -177.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.26 113.86 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 114.209 -1.359 . . . . 0.0 109.472 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.1 m -128.7 126.81 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.949 0.404 . . . . 0.0 110.743 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.9 -94.55 0.15 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.4 137.6 9.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.2 pt -143.85 140.36 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.087 0.47 . . . . 0.0 111.546 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.3 m -132.91 127.0 33.37 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.136 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.416 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 21.3 m -164.87 170.83 14.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.825 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -82.26 -47.73 12.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -126.12 137.77 53.63 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.578 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.06 137.7 46.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.061 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -136.43 107.25 6.62 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.894 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -81.4 96.75 7.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.168 0.509 . . . . 0.0 111.128 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.486 ' O ' ' O ' ' A' ' 92' ' ' VAL . 19.1 m-85 -93.47 162.77 13.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.184 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.652 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 67.17 174.53 6.86 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.338 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.4 p -70.23 27.76 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.303 0.573 . . . . 0.0 109.638 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.652 ' H ' ' C ' ' A' ' 109' ' ' GLY . 32.0 m -53.27 160.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.687 -177.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -130.64 150.97 51.59 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.987 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 62.0 t -141.99 118.8 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -134.68 107.55 7.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.08 -159.03 30.72 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -92.88 117.7 30.32 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.69 142.68 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.333 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.547 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 8.7 m -149.66 112.43 4.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.628 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.547 ' ND1' ' O ' ' A' ' 118' ' ' THR . 52.8 m-70 -154.68 174.24 15.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.063 0.459 . . . . 0.0 111.056 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -99.45 -25.66 14.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.242 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -137.93 123.38 19.57 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.071 0.462 . . . . 0.0 110.61 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 122' ' ' LEU . 2.7 mm? -105.48 147.7 28.01 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.0 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -150.65 118.86 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.395 . . . . 0.0 110.429 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.2 mmm -106.43 124.45 49.62 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -113.45 164.27 13.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.364 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.7 m -43.23 128.89 4.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.436 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 89.82 9.4 66.17 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.52 116.85 24.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.472 . . . . 0.0 111.076 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -128.14 105.64 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -128.58 108.8 10.81 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 111.937 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -127.67 98.86 5.35 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.25 178.63 34.42 Favored Glycine 0 C--N 1.319 -0.373 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.0 108.69 14.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 t -89.95 131.63 35.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.634 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.622 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 120.849 0.357 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.6 tp -126.21 110.14 13.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 3.8 mm? -97.16 131.96 43.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.287 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -66.28 -164.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.521 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -86.38 -22.87 26.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.54 28.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -114.49 122.28 46.09 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.249 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 m -130.61 122.49 27.55 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.258 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' A' ' 65' ' ' LYS . 32.0 mm -86.65 133.08 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.788 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -135.46 125.38 25.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.313 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.0 -108.95 3.73 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.41 120.2 0.95 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -108.65 151.01 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 120.818 0.342 . . . . 0.0 110.296 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.8 143.6 50.32 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.584 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.43 -172.14 40.84 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -147.16 157.2 43.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 110.268 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.03 -165.65 15.29 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -96.03 121.67 38.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 110.734 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.414 ' C ' ' CD1' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -117.2 107.63 14.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.525 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.559 HE22 ' CA ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -92.46 101.93 14.38 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.4 tt -112.08 135.37 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.41 0.624 . . . . 0.0 112.12 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -123.13 55.74 1.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.094 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -144.84 -158.98 7.85 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.497 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 t -105.61 119.61 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.335 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 65.7 t -103.7 112.75 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 48' ' ' ILE . 49.4 mtpt -124.52 110.71 14.82 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.13 -157.8 22.63 Favored Glycine 0 N--CA 1.466 0.657 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 9.1 t0 -92.15 149.82 21.27 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.408 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 86.3 t -143.4 132.13 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.055 0.455 . . . . 0.0 111.074 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -128.46 110.95 12.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.008 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.459 ' CG1' ' H ' ' A' ' 71' ' ' GLY . 40.6 t -149.13 170.67 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.683 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.459 ' H ' ' CG1' ' A' ' 70' ' ' VAL . . . -86.05 -45.14 5.75 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -133.19 122.86 24.61 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.0 tp -120.32 116.91 26.46 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.999 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.1 m -111.76 121.38 44.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.821 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.3 t -83.21 108.29 15.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.069 0.461 . . . . 0.0 110.852 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.559 ' CA ' HE22 ' A' ' 59' ' ' GLN . . . -51.11 -163.55 0.01 OUTLIER Glycine 0 CA--C 1.525 0.686 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.775 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -85.38 -18.15 34.58 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 77.2 m -66.93 -26.19 66.73 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 119.347 -0.941 . . . . 0.0 108.868 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.56 37.38 67.17 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 114.832 -1.076 . . . . 0.0 114.779 175.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -113.98 112.78 23.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.173 1.486 . . . . 0.0 110.102 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.7 t -148.87 112.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.67 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -134.82 107.89 7.64 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.15 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.27 -155.32 26.4 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 t -111.35 123.53 50.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.51 141.01 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.208 0.527 . . . . 0.0 111.066 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -128.26 117.62 21.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.529 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.98 176.82 12.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.99 0.424 . . . . 0.0 110.829 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -94.92 -53.29 3.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.81 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.03 135.46 47.6 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.27 143.58 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.786 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -120.74 112.67 19.14 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.217 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -86.66 135.52 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.126 0.489 . . . . 0.0 111.808 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -135.58 18.85 3.32 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.516 ' N ' ' OG ' ' A' ' 111' ' ' SER . . . -160.51 -152.45 6.57 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.58 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' GLY . 64.3 mtp180 -107.43 132.36 53.28 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.232 1.015 . . . . 0.0 113.114 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.45 123.34 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 114.091 -1.413 . . . . 0.0 109.374 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.96 124.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.78 -91.52 0.12 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.46 124.2 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.392 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.9 tt -121.15 136.88 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.072 0.463 . . . . 0.0 110.832 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.8 m -133.61 110.52 9.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.192 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m -156.53 164.07 38.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.053 0.454 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -86.43 -29.07 23.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -138.82 130.68 27.83 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -148.25 141.63 18.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.164 0.507 . . . . 0.0 111.108 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -135.69 128.56 31.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.562 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 6.9 mp -88.5 95.02 10.06 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.704 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.483 ' O ' ' O ' ' A' ' 92' ' ' VAL . 23.0 m-85 -93.7 162.04 14.1 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.853 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.643 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 62.97 176.57 3.3 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.605 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -70.81 28.02 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.643 ' H ' ' C ' ' A' ' 109' ' ' GLY . 53.2 m -57.33 169.93 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.629 -177.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 4.1 t80 -144.8 144.56 31.22 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.016 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.64 116.97 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.827 0.346 . . . . 0.0 110.354 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -133.72 114.82 13.86 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.73 -160.37 29.27 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -84.37 102.41 12.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.696 0.284 . . . . 0.0 110.248 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 80.5 mt -93.81 142.92 12.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.135 0.493 . . . . 0.0 110.973 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.1 m -140.86 106.05 5.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.464 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -155.31 145.55 21.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.395 0.617 . . . . 0.0 111.699 -179.53 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.42 -26.4 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.142 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -127.29 124.46 38.83 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.428 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.72 149.8 32.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.025 0.441 . . . . 0.0 111.545 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -144.16 138.01 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.648 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.54 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -104.76 127.34 52.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.964 0.411 . . . . 0.0 110.76 -179.252 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.62 149.85 33.97 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.783 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.8 m -40.49 116.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 116.11 4.77 18.14 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.64 28.25 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.747 0.308 . . . . 0.0 111.311 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.537 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 43.0 m-85 -130.17 102.81 6.39 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.532 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 8.8 p90 -132.81 130.01 39.28 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -128.36 100.44 5.81 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 175.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.81 177.2 33.04 Favored Glycine 0 C--N 1.32 -0.331 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -81.42 108.12 14.76 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.1 m -89.51 111.07 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.467 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 N--CA 1.464 0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.641 -179.796 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 120.674 0.273 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -142.51 108.77 5.26 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.278 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 8.9 mp -102.51 134.78 45.28 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.402 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.3 m -73.97 -165.11 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.54 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -79.33 -41.95 26.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.982 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.94 29.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.54 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -111.5 127.85 55.83 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.064 0.459 . . . . 0.0 110.46 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.66 108.89 11.5 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.974 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.2 mm -101.45 146.94 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.81 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' GLY . 86.9 mt-10 -99.95 100.6 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.419 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -36.29 99.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 67' ' ' ASP . . . -178.87 18.71 0.03 OUTLIER Glycine 0 CA--C 1.518 0.25 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.66 148.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.506 -0.347 . . . . 0.0 110.784 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.5 p -139.68 113.56 8.73 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.36 -165.97 15.47 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -151.29 100.16 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.13 -164.09 36.52 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -88.26 114.87 25.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.772 0.32 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.09 107.66 15.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.747 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.541 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -105.96 102.09 11.54 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.193 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' GLY . 13.8 tt -109.6 135.52 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.215 0.531 . . . . 0.0 112.031 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.541 ' CG ' HE22 ' A' ' 59' ' ' GLN . 0.7 OUTLIER -126.76 56.59 1.48 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.266 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.17 -159.02 8.61 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.421 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.8 t -106.47 113.22 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 115.09 -0.555 . . . . 0.0 109.931 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.94 119.59 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.942 0.401 . . . . 0.0 110.563 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' GLY . 5.6 mtmp? -125.71 135.12 51.74 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.347 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.61 -132.5 8.23 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.431 -0.667 . . . . 0.0 111.431 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 51' ' ' GLY . 9.1 t70 -111.45 125.03 53.45 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.095 0.474 . . . . 0.0 111.436 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.9 t -123.23 123.99 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.403 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -127.64 122.14 32.3 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.526 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.451 ' CG2' ' N ' ' A' ' 71' ' ' GLY . 14.6 p -162.96 168.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.483 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.451 ' N ' ' CG2' ' A' ' 70' ' ' VAL . . . -67.23 -48.7 57.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.465 HH21 ' NH2' ' A' ' 106' ' ' ARG . 73.2 ttt180 -138.23 123.46 19.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.746 0.308 . . . . 0.0 110.337 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -111.81 109.93 20.01 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.681 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.6 m -102.78 123.58 46.71 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.864 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.03 104.45 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.06 0.457 . . . . 0.0 109.999 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -51.39 -158.29 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 CA-C-N 114.936 -1.029 . . . . 0.0 113.09 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -84.48 -22.62 30.2 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.486 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 99.2 m -66.96 -26.46 66.83 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.256 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.16 37.8 65.16 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-O 118.832 -0.982 . . . . 0.0 114.23 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.486 ' ND1' ' O ' ' A' ' 78' ' ' THR . 12.6 m80 -113.94 113.11 24.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.269 1.535 . . . . 0.0 110.544 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.83 111.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.15 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -138.66 106.84 5.75 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.941 0.4 . . . . 0.0 110.417 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.97 -155.05 26.09 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.5 p -93.56 129.3 39.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 t -123.68 137.81 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.112 0.482 . . . . 0.0 111.17 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -137.12 130.98 32.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.748 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -171.87 170.9 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.027 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.92 -43.51 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.75 136.69 49.94 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.347 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.17 120.98 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 111.68 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -111.23 107.47 16.79 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.474 ' O ' ' O ' ' A' ' 108' ' ' TYR . 16.9 t -92.22 133.93 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.233 0.54 . . . . 0.0 112.44 -178.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -137.21 19.6 2.97 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.709 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.51 -151.32 6.1 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.919 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 68.9 mtp180 -108.18 134.25 51.29 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 122.12 0.962 . . . . 0.0 113.08 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.42 126.23 28.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.556 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.84 122.66 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.665 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.09 -98.05 0.17 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.0 137.91 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 pt -141.72 144.95 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.975 0.417 . . . . 0.0 111.056 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.0 m -133.02 122.53 24.32 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.127 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 m -158.83 171.79 19.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.332 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.504 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 1.0 OUTLIER -83.09 -48.08 10.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.73 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -125.44 130.36 51.68 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.601 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.85 128.73 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.465 ' NH2' HH21 ' A' ' 72' ' ' ARG . 45.7 mtm-85 -127.05 117.2 21.98 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 107' ' ' LEU . 1.4 mm? -90.75 95.23 10.03 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.166 0.508 . . . . 0.0 111.222 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' A' ' 92' ' ' VAL . 37.5 m-85 -95.11 162.1 13.85 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.583 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.633 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 58.72 -164.12 9.3 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.308 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.1 p -67.1 32.42 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.141 -0.529 . . . . 0.0 110.184 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.633 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.3 p -44.78 142.65 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.3 0.571 . . . . 0.0 111.455 -177.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -143.97 119.88 10.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.496 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.34 120.8 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.926 0.394 . . . . 0.0 110.488 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -132.7 102.84 5.83 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.476 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.14 -159.87 28.58 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -85.44 115.36 23.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.696 0.284 . . . . 0.0 110.556 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.3 tt -116.55 127.73 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.616 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.5 m -119.63 132.43 55.7 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.222 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.54 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -174.04 154.51 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.475 ' OE2' ' N ' ' A' ' 120' ' ' GLU . 1.8 mp0 -88.09 -51.23 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.259 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -117.18 133.3 56.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.003 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.09 148.68 32.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.461 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -136.95 132.75 34.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.56 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.3 OUTLIER -105.44 131.76 52.45 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.985 0.421 . . . . 0.0 111.092 -179.361 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -117.35 162.88 17.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.138 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.5 t -45.91 140.42 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.97 7.26 68.45 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.85 116.22 28.72 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.603 0.239 . . . . 0.0 111.53 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -129.87 102.5 6.33 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 9.2 p90 -132.81 115.51 15.38 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -114.39 100.1 8.07 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 175.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.89 177.03 34.0 Favored Glycine 0 C--N 1.322 -0.22 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -82.11 109.41 16.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 87.7 p -94.05 109.58 21.33 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.392 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.479 ' N ' ' CD2' ' A' ' 135' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.464 0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.166 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.467 0.397 0 CA-C-O 120.819 0.342 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -120.39 109.01 14.82 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.287 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 3.7 mm? -100.36 107.07 18.75 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.955 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' LEU . 21.7 m -49.5 -178.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.551 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.59 -27.82 19.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.041 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.44 12.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.368 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.551 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -102.32 137.51 40.47 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.234 0.54 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 p -130.26 120.29 24.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.816 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.4 135.16 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 110.398 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -134.26 139.56 45.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.588 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.85 -74.01 2.54 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.0 133.19 1.85 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.7 m -126.84 145.51 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 120.803 0.335 . . . . 0.0 110.403 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.1 p -102.38 167.12 10.17 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.49 -160.91 29.66 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -168.59 151.07 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.498 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.6 -163.1 18.66 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -85.72 121.74 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 tp -114.29 107.39 15.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.516 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.75 111.66 23.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 76' ' ' GLY . 13.8 tt -130.44 139.32 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.112 0.482 . . . . 0.0 111.713 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' OG1' ' A' ' 78' ' ' THR . 28.7 p-10 -128.3 53.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.49 -157.93 7.57 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.506 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t -105.51 115.58 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.208 -0.496 . . . . 0.0 109.849 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.98 111.46 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.218 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -124.99 110.53 14.32 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.834 0.349 . . . . 0.0 110.693 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.26 -170.81 23.69 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -89.7 111.81 22.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.815 0.34 . . . . 0.0 110.229 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.5 t -109.76 136.13 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 120.96 0.41 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -128.31 127.67 43.16 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.284 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -167.27 166.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.408 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.12 -69.81 1.2 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -121.81 119.51 31.89 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.241 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tt -101.26 117.71 35.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 p -110.89 117.09 32.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.218 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.76 111.92 20.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -52.31 -161.54 0.01 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.182 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 5.5 mp0 -85.24 -24.34 27.84 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 21.2 p -66.32 -25.07 66.66 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.703 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 57.01 38.79 87.61 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-O 118.595 -1.114 . . . . 0.0 115.03 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -109.44 112.0 23.86 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.565 1.683 . . . . 0.0 110.075 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.5 t -149.36 111.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.205 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.07 107.29 5.76 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.697 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.94 -155.2 26.27 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -92.13 133.45 35.76 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -129.72 134.62 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 121.133 0.492 . . . . 0.0 111.363 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -137.23 129.94 30.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.5 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -170.46 172.25 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.384 -0.527 . . . . 0.0 111.144 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -89.19 -39.61 13.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.117 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.36 143.72 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.449 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 t -144.62 116.67 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.091 0.472 . . . . 0.0 111.376 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -116.99 107.1 14.14 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.391 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' A' ' 108' ' ' TYR . 52.6 t -89.4 139.49 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.258 0.552 . . . . 0.0 112.022 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -135.93 19.94 3.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.77 -151.83 6.29 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.551 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 74.9 mtt180 -107.74 135.36 49.29 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 122.089 0.947 . . . . 0.0 112.817 -177.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.63 132.55 41.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.71 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.58 116.09 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 110.776 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.84 -101.52 0.19 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -154.79 148.89 25.87 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.1 tt -147.29 134.03 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.169 0.509 . . . . 0.0 111.291 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.5 m -133.93 120.55 20.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.597 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 72.7 m -161.32 173.94 14.26 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.033 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.51 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 1.1 mptp? -84.79 -38.52 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.203 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -126.84 135.45 51.01 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.4 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.2 t -141.98 128.73 19.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.733 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.458 ' NH2' ' OH ' ' A' ' 108' ' ' TYR . 37.1 mtp180 -134.44 125.68 27.96 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.861 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.464 ' CG ' ' HG ' ' A' ' 111' ' ' SER . 8.6 mp -94.81 95.68 8.85 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.068 0.461 . . . . 0.0 111.26 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 92' ' ' VAL . 31.7 m-85 -94.22 161.78 14.12 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.1 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.642 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 59.44 -162.6 13.91 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.259 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 t -67.94 32.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.099 -0.551 . . . . 0.0 109.821 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.642 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.5 t -44.94 133.02 6.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.478 0.656 . . . . 0.0 112.003 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -133.66 126.92 31.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.836 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.0 t -133.81 122.87 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.994 0.426 . . . . 0.0 110.908 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -133.56 102.78 5.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.456 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.21 -150.01 20.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -86.01 122.61 30.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.519 ' C ' ' HG1' ' A' ' 118' ' ' THR . 0.6 OUTLIER -108.19 136.66 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.646 179.672 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.519 ' HG1' ' C ' ' A' ' 117' ' ' ILE . 3.9 m -148.58 112.35 5.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.559 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -160.74 154.3 22.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 20.7 mp0 -91.6 -27.87 17.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.951 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -133.01 124.84 28.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.626 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.72 149.55 50.64 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.055 0.455 . . . . 0.0 111.132 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -141.9 124.02 15.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.7 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.612 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.7 mmt -105.36 118.81 37.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 111.023 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -109.41 153.11 24.45 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.903 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.11 128.92 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.728 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 104.03 -0.02 44.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.18 116.02 28.48 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 111.253 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -129.68 104.22 7.3 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.612 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 5.2 p90 -130.7 112.42 13.09 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -112.02 101.14 9.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.46 176.95 32.88 Favored Glycine 0 C--N 1.319 -0.391 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -81.39 108.3 14.88 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 m -88.85 115.76 26.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.878 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.21 179.528 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.466 0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.3 109.15 20.95 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 33.0 mt -107.14 117.55 34.36 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.496 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.3 p -49.09 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.766 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.545 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.39 -25.98 21.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.699 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -73.06 29.67 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.376 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' A' ' 44' ' ' ALA . 39.7 tp -121.78 138.92 54.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.209 0.528 . . . . 0.0 110.755 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.8 m -130.97 121.97 26.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.263 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.41 HD13 HG23 ' A' ' 48' ' ' ILE . 17.3 mm -87.26 136.81 22.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.799 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -135.29 139.97 44.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.31 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.79 -100.3 2.65 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.45 116.6 0.71 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.6 p -109.6 148.01 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.778 0.323 . . . . 0.0 110.386 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.24 111.73 15.57 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.37 -157.71 33.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -169.14 112.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.45 -140.62 15.15 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -81.78 114.78 20.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.842 0.353 . . . . 0.0 110.951 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 tp -105.19 107.24 18.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.027 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -99.05 106.43 18.66 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLY . 9.4 tt -131.96 139.3 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.176 0.512 . . . . 0.0 111.49 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' OG1' ' A' ' 78' ' ' THR . 16.7 p-10 -126.73 50.37 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.17 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.17 -160.12 8.36 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.2 p -106.39 116.36 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.202 0.525 . . . . 0.0 110.209 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.19 119.8 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.208 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -124.08 138.22 54.47 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.449 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.96 -154.73 16.43 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -90.3 128.12 36.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.781 0.324 . . . . 0.0 110.331 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -116.9 123.92 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.296 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -128.33 122.95 32.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.611 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 p -167.7 167.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.455 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.83 -69.64 1.36 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -112.89 119.22 37.23 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 tp -100.86 129.57 46.75 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.599 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.9 m -126.38 108.42 11.21 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.99 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.2 112.68 21.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.347 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -50.6 -161.52 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 CA-C-N 114.912 -1.04 . . . . 0.0 112.935 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -84.78 -23.8 29.03 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.435 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 31.8 p -67.04 -25.82 66.45 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.832 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.62 39.49 85.77 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-O 118.586 -1.119 . . . . 0.0 114.957 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 78' ' ' THR . 52.3 m80 -106.29 113.96 27.8 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.559 1.679 . . . . 0.0 110.473 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.2 t -148.43 110.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.051 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.06 107.0 7.96 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.46 -155.33 26.36 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -112.45 137.71 50.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.64 146.16 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.178 0.513 . . . . 0.0 111.185 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 26.7 m-85 -135.29 117.8 15.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.453 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -153.03 176.63 11.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.006 0.432 . . . . 0.0 111.123 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 3.1 mm-40 -93.2 -41.93 9.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.204 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.69 137.31 50.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.547 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.67 132.66 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.14 0.495 . . . . 0.0 111.673 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -131.77 112.34 12.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.119 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' A' ' 108' ' ' TYR . 61.8 t -101.18 141.87 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.327 0.584 . . . . 0.0 112.55 -178.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -135.48 20.35 3.36 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.29 -151.45 6.13 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.745 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' A' ' 79' ' ' GLY . 19.2 mtt-85 -107.86 136.64 47.23 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 122.272 1.034 . . . . 0.0 113.324 -177.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.02 129.29 32.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.146 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.6 p -138.11 108.35 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.46 -102.81 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.3 145.18 21.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.723 0.297 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.415 HD11 HG23 ' A' ' 100' ' ' ILE . 4.2 tt -140.6 140.25 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.074 0.464 . . . . 0.0 111.236 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.1 m -133.82 108.84 8.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.956 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.7 m -153.89 165.59 35.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.026 0.441 . . . . 0.0 111.21 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.488 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.0 mptt -72.46 -57.37 4.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.294 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -125.77 134.56 51.69 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.081 0.467 . . . . 0.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.0 m -131.5 148.14 32.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.263 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 mtp85 -137.41 115.3 11.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.922 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.5 mp -83.41 94.57 8.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.048 0.452 . . . . 0.0 110.333 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 92' ' ' VAL . 2.8 m-85 -94.43 161.51 14.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.224 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.62 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.77 -158.93 5.95 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.177 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -66.97 32.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.127 -0.537 . . . . 0.0 110.308 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.62 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.8 t -45.21 129.67 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.267 0.556 . . . . 0.0 111.698 -177.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -133.33 110.73 10.26 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.311 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.42 120.78 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -133.19 107.12 7.98 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.372 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.57 -155.38 26.1 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -86.47 121.39 28.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.678 0.275 . . . . 0.0 110.581 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 87.2 mt -114.61 141.98 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 110.626 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.1 m -135.84 109.42 7.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.346 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.477 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -156.8 154.75 30.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.145 0.498 . . . . 0.0 111.613 -179.154 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 120' ' ' GLU . 9.7 mp0 -97.02 -37.77 10.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.63 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -122.21 130.55 53.3 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.644 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.31 131.18 27.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.005 0.431 . . . . 0.0 111.115 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -119.88 126.14 50.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.472 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.609 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.9 mmt -104.58 113.61 27.3 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.941 0.401 . . . . 0.0 110.875 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -102.28 153.44 19.98 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.054 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 71.6 m -42.63 123.78 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 106.95 7.41 33.36 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.83 115.53 28.14 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.696 0.284 . . . . 0.0 111.491 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -130.68 103.57 6.68 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.609 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 3.9 p90 -132.45 114.95 14.93 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -115.26 100.47 8.16 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.26 175.65 33.89 Favored Glycine 0 C--N 1.321 -0.295 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.73 108.72 16.3 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.8 t -92.81 130.49 38.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.064 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 N--CA 1.464 0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.412 179.515 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.467 0.385 0 CA-C-O 120.766 0.317 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 10.1 mp -99.26 124.24 44.18 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.452 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.63 119.73 35.88 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.927 0.394 . . . . 0.0 110.361 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 m -53.68 -172.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.616 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.545 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.24 -29.89 18.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -68.52 10.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.6 mm? -95.14 131.42 41.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.095 0.474 . . . . 0.0 110.577 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 121.59 22.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.022 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.566 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.5 mp -86.56 133.03 30.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.986 0.422 . . . . 0.0 110.451 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -127.96 125.94 40.48 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.12 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.98 -86.1 1.08 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.05 120.33 0.88 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.28 132.83 39.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.909 0.385 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.8 p -103.28 144.02 31.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.74 -177.89 36.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -170.62 72.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 110.509 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.62 -163.63 36.36 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -73.88 113.55 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.216 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.9 tp -108.75 107.67 18.2 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.47 103.39 13.76 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.0 tt -123.55 131.16 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.182 0.515 . . . . 0.0 111.768 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.461 ' O ' ' OG1' ' A' ' 78' ' ' THR . 2.2 p-10 -116.42 48.46 1.27 Allowed 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -137.99 -159.87 8.3 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.08 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 1.9 m -105.68 124.84 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.202 0.525 . . . . 0.0 110.818 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.7 t -105.95 115.7 48.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 48' ' ' ILE . 17.5 mtpp -123.86 123.35 40.26 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.41 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.17 -149.44 18.69 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -90.27 159.11 16.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.781 0.324 . . . . 0.0 110.371 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.16 124.05 10.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -128.23 118.42 23.27 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.529 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 p -167.39 167.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.6 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.14 -66.04 1.92 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -116.09 119.97 37.55 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 tt -105.84 117.73 34.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.014 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.4 m -112.61 116.65 30.52 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.3 t -83.04 111.74 19.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.721 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -49.54 -162.07 0.01 OUTLIER Glycine 0 CA--C 1.526 0.77 0 CA-C-N 114.783 -1.099 . . . . 0.0 113.431 -178.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -84.6 -26.16 28.11 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 32.1 m -67.0 -25.59 66.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.916 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.5 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.53 38.6 81.58 Favored Glycine 0 C--O 1.223 -0.58 0 CA-C-O 118.667 -1.074 . . . . 0.0 114.185 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -108.64 113.65 26.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.651 1.725 . . . . 0.0 110.073 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.7 t -146.95 113.54 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.477 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -138.27 108.79 6.55 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.566 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.74 -157.36 28.58 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -102.41 115.96 31.64 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 t -100.64 138.56 24.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.998 0.428 . . . . 0.0 111.279 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -136.57 117.91 14.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.614 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.63 178.32 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.3 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -85.71 -56.01 3.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.681 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.86 148.77 51.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.916 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.9 123.7 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.245 0.545 . . . . 0.0 111.399 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.42 107.34 17.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.297 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 108' ' ' TYR . 40.8 t -86.07 139.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.327 0.584 . . . . 0.0 112.282 -178.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -134.48 19.93 3.63 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.48 -154.91 7.46 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.671 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' A' ' 79' ' ' GLY . 11.2 ptm180 -110.71 134.15 52.72 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.421 1.105 . . . . 0.0 113.546 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -126.34 127.89 70.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.246 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.5 t -133.34 114.32 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.805 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.76 -95.61 0.14 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.72 147.2 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.709 0.29 . . . . 0.0 110.25 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.4 pt -144.56 143.11 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.979 0.419 . . . . 0.0 111.283 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 m -133.28 117.58 17.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.874 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.0 m -157.48 177.26 11.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.238 0.542 . . . . 0.0 111.599 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.529 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 3.0 mptp? -86.61 -27.94 23.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.522 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -154.17 136.32 14.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.974 0.416 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 105' ' ' VAL . 3.3 m -133.05 120.03 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.097 0.475 . . . . 0.0 110.877 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -108.41 111.06 22.76 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.708 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.6 mt -81.72 93.93 6.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.25 0.547 . . . . 0.0 111.134 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 20.0 m-85 -95.64 161.51 14.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.173 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.59 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.51 -159.72 5.26 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.52 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 t -65.7 32.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.816 -0.692 . . . . 0.0 110.96 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.59 ' H ' ' C ' ' A' ' 109' ' ' GLY . 12.9 t -44.9 128.24 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.324 0.583 . . . . 0.0 111.397 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -131.9 110.01 10.49 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.521 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.88 119.25 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -133.49 102.84 5.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.217 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.38 -154.96 25.95 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -90.72 129.59 36.8 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.852 0.358 . . . . 0.0 110.967 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.6 mt -119.31 143.26 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 54.5 m -145.23 102.93 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.1 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.461 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -149.97 168.43 23.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.662 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -102.72 -28.07 12.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.385 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -131.65 142.85 49.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.102 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.65 148.94 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.176 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.28 133.84 22.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.696 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.1 mtp -115.39 136.91 52.61 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 111.135 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -125.11 171.02 10.63 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.034 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.5 t -44.11 138.8 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.401 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.8 9.63 84.25 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.27 116.63 27.64 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.966 0.413 . . . . 0.0 110.889 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -128.74 110.86 12.55 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 130' ' ' PHE . 0.8 OUTLIER -130.37 109.0 10.41 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.739 -178.796 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -131.47 99.21 4.75 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.07 178.03 34.53 Favored Glycine 0 C--N 1.319 -0.412 0 N-CA-C 108.464 -1.855 . . . . 0.0 108.464 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -81.05 108.49 14.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 p -86.43 149.95 24.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.399 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.847 179.789 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.467 0.382 0 CA-C-O 120.777 0.323 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 mt -139.63 108.72 6.05 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.431 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 8.6 mp -97.12 130.97 44.32 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.262 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -72.29 -164.54 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.46 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -80.08 -34.58 37.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -77.54 28.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.78 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -109.77 118.08 35.57 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.069 0.462 . . . . 0.0 110.091 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.62 121.61 35.2 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.115 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -86.39 144.74 8.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -136.26 140.2 43.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.54 -98.44 1.4 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.41 131.78 2.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.7 m -125.0 133.31 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.766 0.317 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -104.84 169.87 8.2 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.65 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.2 -163.58 20.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -170.76 71.46 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.61 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.8 -146.38 10.54 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -92.68 120.42 33.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.893 0.378 . . . . 0.0 110.539 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.4 tp -119.77 107.21 12.92 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.477 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -104.74 102.14 11.73 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.242 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.5 tt -111.27 137.21 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.254 0.549 . . . . 0.0 111.865 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.551 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -127.65 64.26 1.36 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.613 178.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.06 -158.87 9.05 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.426 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.56 120.14 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 121.174 0.511 . . . . 0.0 110.448 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.3 t -99.6 124.91 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.975 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -124.62 91.05 3.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.091 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.99 -148.32 20.01 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -107.7 155.63 19.97 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.893 0.377 . . . . 0.0 110.679 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.3 t -140.87 134.69 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.671 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -128.84 118.56 22.94 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.6 p -167.43 171.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.38 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.42 -64.32 2.53 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -113.95 135.81 53.59 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.773 0.32 . . . . 0.0 110.383 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.8 tp -136.4 121.9 19.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.328 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 51.7 m -126.98 123.33 36.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 75' ' ' VAL . 1.1 m -85.93 116.21 28.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.322 0.582 . . . . 0.0 110.56 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.46 -157.88 0.01 OUTLIER Glycine 0 CA--C 1.522 0.513 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.557 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -80.87 -14.84 57.65 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 14.4 p -67.5 -27.22 66.82 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.893 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.72 38.26 63.65 Favored Glycine 0 CA--C 1.521 0.437 0 CA-C-N 115.004 -0.998 . . . . 0.0 114.435 176.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -115.32 114.21 24.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.133 1.466 . . . . 0.0 110.363 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -147.25 114.86 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.457 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.66 107.66 7.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.483 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.77 -155.99 27.03 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.7 p -103.97 115.89 31.27 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 t -98.09 120.61 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.09 0.471 . . . . 0.0 111.354 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -120.39 117.13 26.92 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.624 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.32 178.47 8.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.465 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -94.3 -40.22 10.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.01 138.34 24.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.933 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.01 143.95 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.176 0.512 . . . . 0.0 112.002 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -117.21 118.17 31.57 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.189 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.9 t -96.88 130.56 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.434 ' H ' HG22 ' A' ' 75' ' ' VAL . 94.8 mtt180 -131.19 20.23 4.87 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.79 -150.52 5.87 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.972 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 79' ' ' GLY . 56.4 ttp85 -106.95 129.26 54.79 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 122.027 0.918 . . . . 0.0 112.754 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.7 p -135.85 130.73 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.241 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.38 130.75 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.409 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.19 -94.92 0.16 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.32 150.77 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 tt -147.38 132.25 10.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.96 0.41 . . . . 0.0 110.564 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.6 m -133.25 112.31 11.57 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.093 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.6 p -158.72 -179.42 8.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 111.253 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -81.91 -55.53 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.61 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -130.18 143.52 50.83 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.958 0.409 . . . . 0.0 110.736 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -148.8 124.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.995 0.426 . . . . 0.0 110.667 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -109.47 134.84 51.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.832 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 107' ' ' LEU . 10.8 mp -96.38 94.0 7.17 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.823 0.344 . . . . 0.0 111.397 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.489 ' O ' ' OG ' ' A' ' 111' ' ' SER . 27.2 m-85 -96.04 161.14 14.11 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.674 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.583 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 53.63 -153.89 7.92 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.537 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.7 m -65.09 31.88 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 114.882 -0.659 . . . . 0.0 110.85 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.583 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.5 m -45.33 132.34 7.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.997 0.427 . . . . 0.0 110.552 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -146.95 112.1 5.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.312 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.71 122.77 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.979 0.419 . . . . 0.0 110.761 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -133.65 111.11 10.35 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.586 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.08 -152.83 24.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -85.8 121.64 28.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 91.6 mt -115.44 142.44 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.137 0.494 . . . . 0.0 110.978 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.0 m -142.42 95.2 2.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.779 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.528 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -136.57 142.72 43.39 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.687 -179.268 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -78.0 -51.52 10.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.771 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -122.03 129.08 52.13 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.492 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.1 148.64 48.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.117 0.484 . . . . 0.0 110.973 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.41 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -134.81 121.93 21.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.501 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.607 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -104.98 128.9 53.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.979 0.418 . . . . 0.0 110.997 -179.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -121.99 156.47 33.38 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.773 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 121.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.797 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 109.12 4.88 30.94 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.79 115.45 28.07 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.688 0.28 . . . . 0.0 111.278 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -130.95 103.27 6.45 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 6.0 p90 -131.1 116.45 17.76 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -122.8 100.0 6.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.4 176.24 33.83 Favored Glycine 0 C--N 1.321 -0.294 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 108.29 15.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.2 m -93.52 129.98 39.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.569 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.967 0.413 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -103.28 120.51 40.9 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.34 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 43' ' ' SER . 10.6 mp -98.17 110.71 23.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' LEU . 9.8 m -48.75 179.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.965 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.567 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.09 -31.17 18.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.796 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.28 29.72 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.567 ' H ' ' C ' ' A' ' 44' ' ' ALA . 50.6 mt -120.83 139.01 53.75 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.387 0.613 . . . . 0.0 111.262 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.439 ' OG1' ' OE2' ' A' ' 49' ' ' GLU . 4.5 p -132.09 122.99 26.28 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.721 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.7 mm -86.69 137.71 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.852 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 26.8 mp0 -135.41 140.46 44.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.26 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' O ' ' OD1' ' A' ' 67' ' ' ASP . . . 78.62 -82.18 1.32 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.92 138.6 2.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -144.63 148.86 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 110.653 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -109.73 170.97 7.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.122 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.64 -46.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 60.27 87.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.512 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.63 -178.99 32.8 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -93.78 114.65 26.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.755 0.312 . . . . 0.0 110.326 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.92 148.5 48.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.455 0.645 . . . . 0.0 111.206 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 60' ' ' ILE . 4.3 tp-100 -113.03 115.89 29.06 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.74 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.517 ' N ' ' OE1' ' A' ' 59' ' ' GLN . 13.2 tt -115.0 128.85 72.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.414 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' C ' ' OG1' ' A' ' 78' ' ' THR . 35.5 p-10 -117.0 49.63 1.16 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.08 -159.23 8.06 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.52 116.58 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.034 0.445 . . . . 0.0 110.323 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.6 t -103.76 115.33 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -124.85 130.85 53.2 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.421 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.57 -169.41 12.91 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.391 -0.683 . . . . 0.0 111.391 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 1.7 p-10 -91.64 108.75 20.12 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.839 0.352 . . . . 0.0 110.51 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.1 p -112.6 142.97 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.515 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -127.7 134.15 49.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.358 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.3 p -167.28 168.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.816 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.36 -68.41 1.48 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -112.86 119.09 36.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.978 0.418 . . . . 0.0 109.932 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 tp -113.18 126.24 55.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.766 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.432 ' O ' ' OE1' ' A' ' 59' ' ' GLN . 4.0 m -122.89 117.0 24.57 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.4 t -83.47 111.04 19.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.602 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.34 -160.08 0.01 OUTLIER Glycine 0 CA--C 1.527 0.826 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.346 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -84.73 -23.24 29.38 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 34.9 p -66.7 -25.4 66.52 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.657 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.1 39.17 79.54 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 118.715 -1.047 . . . . 0.0 114.417 176.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.68 113.28 26.45 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.4 1.6 . . . . 0.0 110.535 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -148.96 110.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.94 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.27 107.43 5.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.023 0.439 . . . . 0.0 110.378 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.96 -155.59 26.58 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.3 m -100.66 123.63 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.47 121.49 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.15 0.5 . . . . 0.0 110.963 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 10.2 m-85 -113.98 123.63 50.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.728 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.443 ' O ' ' OG ' ' A' ' 102' ' ' SER . . . -157.56 160.74 38.47 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.366 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -83.2 -44.38 15.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.117 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.93 138.08 43.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.685 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.4 p -145.55 145.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.177 0.513 . . . . 0.0 111.403 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -133.94 109.8 9.27 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.482 ' O ' ' O ' ' A' ' 108' ' ' TYR . 67.0 t -88.92 142.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.288 0.566 . . . . 0.0 112.314 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -137.1 20.23 2.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.32 -151.18 6.05 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.424 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -107.63 136.68 46.98 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 122.122 0.963 . . . . 0.0 113.055 -177.588 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.0 p -141.33 125.36 16.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.954 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.9 130.18 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.44 -95.99 0.16 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.27 138.76 11.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 110.486 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 tt -141.41 138.81 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.016 0.436 . . . . 0.0 110.853 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.8 m -133.32 109.46 9.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.792 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 87' ' ' ALA . 30.1 t -146.62 164.37 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.15 0.5 . . . . 0.0 111.268 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -86.89 -35.01 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.502 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -132.96 121.82 23.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.267 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.0 t -126.29 144.15 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -141.49 107.77 5.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.799 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.6 mt -81.19 95.16 6.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.988 0.423 . . . . 0.0 111.139 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 92' ' ' VAL . 3.7 m-85 -94.32 163.01 13.61 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.681 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.594 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 52.6 -160.87 2.68 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.081 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 t -65.2 32.23 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.088 0.555 . . . . 0.0 111.134 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.594 ' H ' ' C ' ' A' ' 109' ' ' GLY . 10.7 t -45.12 130.79 7.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.272 0.558 . . . . 0.0 111.735 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -131.48 109.83 10.57 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.658 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -109.86 116.74 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.629 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -133.68 102.65 5.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.1 -148.67 18.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -90.67 115.14 27.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.81 0.338 . . . . 0.0 110.545 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.427 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 0.5 OUTLIER -98.43 142.56 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.029 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.7 m -149.69 119.19 6.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.107 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -177.84 157.8 1.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.954 0.406 . . . . 0.0 110.946 -179.777 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.57 -34.33 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.169 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -121.45 126.08 48.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.118 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.24 143.33 47.74 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.436 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -135.96 132.21 36.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.175 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.6 mtp -112.47 117.24 31.84 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.142 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -105.31 161.1 14.59 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.983 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.7 t -40.56 135.56 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.7 0.286 . . . . 0.0 110.62 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 86.6 9.34 75.41 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.56 118.39 27.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 111.333 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -127.01 112.79 15.65 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 130' ' ' PHE . 1.6 t80 -132.13 109.2 9.8 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.848 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.89 98.96 4.94 Favored 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.43 177.22 35.18 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -81.9 108.86 15.75 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.2 p -88.8 127.5 35.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.875 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.178 179.484 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.697 0.285 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tt -126.94 108.76 11.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.228 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.77 124.34 48.72 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.9 p -60.44 -178.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.336 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.527 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.92 -20.74 24.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.655 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -75.2 29.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.106 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.527 ' H ' ' C ' ' A' ' 44' ' ' ALA . 26.3 mt -125.78 142.87 51.3 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.435 0.636 . . . . 0.0 111.391 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.14 124.31 27.28 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.802 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.07 143.94 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.034 0.445 . . . . 0.0 111.02 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -134.51 140.32 46.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.499 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.99 -68.72 2.25 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.78 142.11 3.45 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -133.25 150.73 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.854 0.359 . . . . 0.0 110.507 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.45 150.67 34.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.406 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.66 80.16 0.1 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.07 110.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.678 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 144.39 -161.83 27.94 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -88.06 118.84 27.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.815 0.34 . . . . 0.0 110.214 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -115.24 107.46 15.31 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.359 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.91 115.4 30.52 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.7 tt -134.99 144.24 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.931 0.396 . . . . 0.0 111.397 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' O ' ' OG1' ' A' ' 78' ' ' THR . 30.1 p-10 -125.03 54.18 1.45 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.297 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.21 -160.42 8.3 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.19 112.14 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.508 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.452 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 1.3 m -106.7 122.3 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -124.63 118.7 27.1 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.348 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.88 -147.79 19.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -105.34 119.82 40.02 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.804 0.335 . . . . 0.0 110.32 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 t -110.1 129.8 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.439 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.1 ttp85 -127.55 110.97 13.25 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.365 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 71' ' ' GLY . 69.3 t -157.49 163.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.373 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.506 ' N ' ' CG1' ' A' ' 70' ' ' VAL . . . -70.89 -62.8 3.41 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.28 124.91 48.98 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.758 0.313 . . . . 0.0 110.217 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.36 116.18 30.53 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.68 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.2 m -112.01 109.1 18.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.967 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 t -83.56 123.92 39.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.244 0.545 . . . . 0.0 110.788 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.59 -157.95 0.18 Allowed Glycine 0 CA--C 1.525 0.661 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.339 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -83.66 -20.49 33.5 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 25.0 m -66.95 -26.87 67.04 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 119.138 -1.025 . . . . 0.0 108.685 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.13 38.61 67.33 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 118.773 -1.015 . . . . 0.0 114.584 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.09 113.58 26.21 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.316 1.558 . . . . 0.0 110.736 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -148.64 111.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.284 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -137.59 108.61 6.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.043 0.449 . . . . 0.0 110.553 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.37 -155.72 26.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.2 m -101.26 115.92 31.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.15 117.47 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 111.351 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -113.42 124.73 53.12 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.635 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.28 176.62 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.223 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.85 -45.87 10.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.104 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.13 147.46 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.719 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.7 m -145.58 120.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.461 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -106.63 106.24 16.67 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.1 m -93.86 146.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.491 0.662 . . . . 0.0 111.966 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -131.82 22.21 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.095 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.35 -151.27 5.96 Favored Glycine 0 CA--C 1.533 1.174 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.555 -177.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLY . 89.2 mtt180 -106.0 133.04 51.36 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.313 1.054 . . . . 0.0 113.709 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.3 t -123.53 108.48 21.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 113.858 -1.519 . . . . 0.0 109.176 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.41 107.63 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.871 0.367 . . . . 0.0 110.341 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.16 -106.13 0.28 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.6 145.56 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.552 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.3 pt -142.99 143.92 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.9 m -133.36 114.47 13.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.979 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -155.84 169.14 25.08 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.294 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -78.97 -35.08 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.14 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -131.64 143.74 50.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.124 0.488 . . . . 0.0 110.945 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 20.9 t -144.85 127.68 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -132.8 122.33 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.684 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.0 mp -93.08 96.11 9.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.358 0.599 . . . . 0.0 111.602 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -93.82 161.52 14.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.718 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.638 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.83 178.18 6.28 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.805 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.0 p -71.87 27.73 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.638 ' H ' ' C ' ' A' ' 109' ' ' GLY . 6.2 p -54.78 168.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.294 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 2.4 t80 -150.47 140.18 21.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.5 t -134.69 121.8 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 120.922 0.391 . . . . 0.0 110.468 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -133.42 104.21 6.31 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 164.2 -158.65 31.33 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -91.13 120.48 32.12 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.764 0.316 . . . . 0.0 110.623 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.2 mt -116.11 142.37 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 37.8 m -137.56 103.32 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.705 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.481 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -146.31 165.46 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.237 0.542 . . . . 0.0 111.167 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.494 ' CD ' ' N ' ' A' ' 120' ' ' GLU . 4.4 mp0 -100.28 -42.04 6.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.393 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -117.88 137.83 52.53 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.455 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.71 149.36 37.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.987 0.423 . . . . 0.0 111.067 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -140.37 147.61 40.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.876 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.508 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 17.3 mmt -129.22 118.8 22.95 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.779 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -108.99 157.61 18.5 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.167 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.66 116.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.479 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 115.81 2.1 20.83 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.39 114.65 27.24 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.633 -0.334 . . . . 0.0 111.15 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 65.2 m-85 -130.67 101.76 5.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.508 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 14.5 p90 -132.56 121.82 23.85 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -119.02 100.03 7.1 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.32 176.25 33.77 Favored Glycine 0 C--N 1.319 -0.415 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -82.49 108.16 15.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.6 t -96.29 119.12 34.2 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.547 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.723 -179.826 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.069 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -133.21 109.32 9.35 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.374 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 8.5 mp -98.58 118.13 34.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.306 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.4 p -54.72 179.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.799 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.533 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -84.34 -31.8 24.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.376 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.85 29.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.364 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.9 tp -131.18 142.3 50.18 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.555 0.693 . . . . 0.0 111.433 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -138.89 125.06 20.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.583 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.6 147.29 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.961 0.41 . . . . 0.0 110.708 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -133.8 140.31 46.84 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.534 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 67' ' ' ASP . . . 90.71 -106.13 3.33 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.45 113.32 0.56 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.6 p -93.72 136.72 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.755 0.312 . . . . 0.0 110.658 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.616 ' HG1' ' N ' ' A' ' 54' ' ' GLY . 2.2 t -103.15 165.34 11.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.616 ' N ' ' HG1' ' A' ' 53' ' ' THR . . . -173.56 -175.25 41.14 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -172.1 57.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.511 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.01 -140.99 4.22 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -94.57 113.15 24.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.039 0.447 . . . . 0.0 110.514 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.22 107.64 18.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.721 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -103.89 101.94 11.74 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 76' ' ' GLY . 10.8 tt -113.4 132.53 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.268 0.556 . . . . 0.0 111.736 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -124.91 51.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.736 178.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -143.32 -159.36 7.93 Favored Glycine 0 C--O 1.243 0.708 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.102 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 63' ' ' VAL . 1.7 m -106.37 122.27 59.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.041 0.448 . . . . 0.0 109.914 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 52.7 t -97.39 123.29 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -125.08 90.88 3.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.448 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.13 -140.81 9.1 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 7.3 p-10 -113.12 150.64 31.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.545 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.17 127.12 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.795 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -128.53 114.99 17.44 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.517 ' CG2' ' H ' ' A' ' 71' ' ' GLY . 12.5 p -167.33 175.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.546 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.517 ' H ' ' CG2' ' A' ' 70' ' ' VAL . . . -73.34 -69.12 1.44 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -112.56 138.26 49.59 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.4 tp -124.05 118.73 27.62 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.001 0.429 . . . . 0.0 110.696 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.518 ' H ' ' HG1' ' A' ' 74' ' ' THR . 1.0 OUTLIER -111.57 117.22 32.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.582 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.448 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.2 t -83.4 108.28 15.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.098 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -49.54 -163.92 0.01 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.036 -0.983 . . . . 0.0 113.348 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -84.85 -23.91 28.82 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.46 ' HG1' ' C ' ' A' ' 61' ' ' ASP . 46.0 p -66.47 -25.82 66.89 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 119.228 -0.989 . . . . 0.0 108.578 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.62 38.78 72.97 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 114.974 -1.012 . . . . 0.0 114.044 176.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -111.62 113.22 25.47 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.152 1.476 . . . . 0.0 110.374 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.8 t -147.71 115.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.7 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.86 107.58 6.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.371 . . . . 0.0 110.058 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.7 -155.72 26.76 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -96.93 145.93 25.44 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -137.25 114.8 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.015 0.436 . . . . 0.0 111.392 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -117.39 120.19 37.4 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.685 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.09 172.44 15.86 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.121 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -86.17 -37.72 18.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.12 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.45 149.75 34.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.603 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.6 132.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.147 0.499 . . . . 0.0 111.787 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -112.9 128.89 56.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.935 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.9 t -109.32 138.31 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 121.151 0.501 . . . . 0.0 112.001 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -137.85 19.75 2.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.59 -152.13 6.39 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.805 -177.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 83.1 mtt180 -108.67 136.27 48.54 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 122.141 0.972 . . . . 0.0 113.255 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 p -136.45 122.24 28.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.641 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.66 114.33 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.936 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.47 -101.13 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.48 141.5 5.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.646 0.26 . . . . 0.0 110.302 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.7 pt -142.42 146.18 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.986 0.422 . . . . 0.0 111.142 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.8 m -132.99 120.57 21.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.956 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -156.58 163.17 39.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.351 . . . . 0.0 111.138 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -85.49 -24.81 27.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -139.71 122.09 16.06 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.528 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.1 t -121.47 131.44 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.503 ' NH2' ' OH ' ' A' ' 108' ' ' TYR . 36.7 mtp180 -132.61 107.28 8.33 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.873 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.7 mt -88.32 96.29 10.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.109 0.48 . . . . 0.0 111.621 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.506 ' O ' ' O ' ' A' ' 92' ' ' VAL . 54.1 m-85 -94.2 162.81 13.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.527 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.633 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 59.47 -165.04 10.59 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.254 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 m -68.46 31.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.104 -0.548 . . . . 0.0 109.909 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.633 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.5 p -45.61 138.31 4.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.387 0.613 . . . . 0.0 111.627 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.546 ' HH ' ' CG ' ' A' ' 114' ' ' ASP . 64.1 t80 -136.69 128.45 29.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.864 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.94 118.2 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.032 0.444 . . . . 0.0 110.904 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.546 ' CG ' ' HH ' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -133.39 106.44 7.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.297 179.775 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.78 -144.57 9.88 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -101.86 102.73 13.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.777 0.323 . . . . 0.0 110.494 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.3 tt -108.12 134.06 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.378 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 78.7 m -133.14 135.88 45.45 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.445 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -172.01 166.89 6.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.983 0.421 . . . . 0.0 110.861 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -97.43 -34.87 10.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.193 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -128.08 124.54 37.27 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.985 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.63 148.94 47.61 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.043 0.449 . . . . 0.0 110.481 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.79 118.92 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.762 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.4 OUTLIER -105.62 137.17 43.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.597 -179.562 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -124.32 158.93 31.44 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.261 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.5 t -40.83 125.72 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.72 4.39 39.67 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.68 116.4 28.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.734 0.302 . . . . 0.0 111.628 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 23.5 m-85 -129.6 102.51 6.4 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 9.3 p90 -132.31 119.56 20.93 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -178.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -120.71 100.14 6.94 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.56 176.87 33.78 Favored Glycine 0 C--N 1.321 -0.279 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -82.19 109.3 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.4 t -89.22 117.91 28.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.816 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 N--CA 1.462 0.172 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 179.821 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.807 0.337 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.96 126.57 41.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 mt -107.02 124.26 49.38 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 p -61.23 -167.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.53 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.79 -26.84 21.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.001 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -74.83 26.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.347 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.53 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.0 mm? -112.35 132.76 54.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.208 0.528 . . . . 0.0 110.5 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.02 120.99 19.8 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.094 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.568 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.5 mp -86.45 135.43 25.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.975 0.417 . . . . 0.0 110.476 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -135.59 130.22 34.12 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.055 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.57 -70.29 2.16 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.33 135.98 2.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.1 p -137.52 144.07 32.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.1 p -102.77 108.04 19.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.932 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.35 -151.93 19.55 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -172.38 144.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.871 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.65 -146.48 50.35 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -82.82 121.41 26.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.857 0.36 . . . . 0.0 110.692 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.8 tp -120.49 107.65 13.13 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.535 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? -94.42 122.06 36.61 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' GLY . 10.0 tt -135.4 130.96 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.174 0.512 . . . . 0.0 111.559 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.452 ' O ' ' OG1' ' A' ' 78' ' ' THR . 3.3 p30 -120.47 49.62 1.42 Allowed 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.13 -157.89 7.61 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.714 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 2.8 m -105.29 124.2 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.155 -0.523 . . . . 0.0 109.925 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.7 t -111.93 110.21 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.75 0.309 . . . . 0.0 111.423 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 48' ' ' ILE . 33.7 mtmt -125.18 106.59 10.01 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.424 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.29 -163.84 28.39 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -101.26 106.41 17.6 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.4 p -111.7 142.62 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.016 0.436 . . . . 0.0 111.173 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -128.4 136.04 50.35 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.204 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -167.69 171.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.573 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.84 -69.39 1.4 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.5 mtt85 -114.29 118.84 35.04 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.5 tp -104.32 131.73 51.34 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.047 0.451 . . . . 0.0 110.847 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -124.5 113.53 18.23 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.578 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.7 t -83.19 107.31 14.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.523 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.44 -160.66 0.01 OUTLIER Glycine 0 CA--C 1.526 0.738 0 CA-C-N 114.94 -1.027 . . . . 0.0 113.013 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -84.87 -20.62 30.53 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 89.2 m -66.66 -26.38 67.02 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 119.199 -1.0 . . . . 0.0 109.013 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.11 37.99 65.32 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.104 -0.953 . . . . 0.0 114.244 176.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -111.92 112.9 24.88 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.075 1.438 . . . . 0.0 110.285 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -149.14 110.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.098 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -137.0 106.97 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.16 -154.59 25.67 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 m -105.8 121.59 44.35 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.959 0.409 . . . . 0.0 110.2 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.6 p -122.32 130.06 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -121.25 133.08 55.14 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.929 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.92 167.52 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.467 ' N ' ' OE2' ' A' ' 88' ' ' GLU . 1.5 mm-40 -86.68 -41.52 14.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.095 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.34 143.12 39.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.675 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.63 138.36 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.186 0.517 . . . . 0.0 111.77 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -117.83 129.52 55.71 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.103 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.464 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -107.38 137.72 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.15 0.5 . . . . 0.0 111.852 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -136.2 19.7 3.19 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . -160.35 -152.06 6.42 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.543 -178.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 79' ' ' GLY . 70.5 mtp180 -107.58 135.63 48.71 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.113 0.959 . . . . 0.0 113.36 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.37 125.54 27.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.299 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.44 125.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.999 0.428 . . . . 0.0 111.067 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.75 -93.21 0.13 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.68 126.02 2.9 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.642 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 pp -126.73 142.08 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.225 0.535 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.3 m -133.81 118.13 17.66 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.211 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -164.52 147.42 8.89 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.958 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -74.51 -17.84 60.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.588 ' NE2' ' N ' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -145.06 123.9 12.67 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.779 -179.642 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.588 ' N ' ' NE2' ' A' ' 104' ' ' GLN . 2.8 m -140.53 137.82 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.962 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -128.15 118.03 22.65 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.97 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 9.1 mp -87.56 94.91 9.85 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.239 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 92' ' ' VAL . 9.6 m-85 -94.85 162.01 13.93 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.11 178.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.636 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 66.23 175.04 6.02 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.958 178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.0 p -70.68 28.27 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.636 ' H ' ' C ' ' A' ' 109' ' ' GLY . 9.1 t -59.67 170.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.74 -177.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 5.3 t80 -146.73 142.67 28.05 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.451 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -130.76 121.73 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 120.986 0.422 . . . . 0.0 110.532 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -133.84 122.51 23.33 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.68 -157.08 27.15 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -90.05 123.56 34.03 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 73.5 mt -118.39 126.3 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.108 0.48 . . . . 0.0 111.288 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.5 m -122.78 99.44 6.39 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.24 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -140.07 153.56 46.8 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 111.237 -178.789 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.43 -37.86 10.74 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.767 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -132.13 131.14 42.01 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.886 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.22 149.64 44.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.146 0.498 . . . . 0.0 111.331 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -131.27 132.79 44.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.447 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.478 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 24.2 mmt -108.95 122.06 46.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.988 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -113.39 150.14 33.1 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.985 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.6 t -39.51 135.18 1.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.83 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.77 1.7 58.67 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.63 115.4 28.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.688 0.28 . . . . 0.0 111.039 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . 0.551 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 42.9 m-85 -129.92 103.28 6.69 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.478 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 28.1 p90 -132.1 125.62 31.79 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -126.46 100.39 6.23 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 176.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.66 176.67 33.13 Favored Glycine 0 C--N 1.318 -0.445 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -82.08 108.31 15.46 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.0 t -95.45 125.3 39.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.643 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 N--CA 1.464 0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.469 179.858 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.837 0.351 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.74 134.94 34.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.222 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.66 135.46 53.91 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.8 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.3 m -64.39 -163.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.047 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.561 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.47 -41.2 13.7 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.191 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.7 OUTLIER -71.89 29.74 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.704 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.561 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -113.42 128.43 56.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.336 0.588 . . . . 0.0 110.926 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.0 p -128.38 108.19 10.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.085 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.1 mm -96.06 146.87 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.112 0.482 . . . . 0.0 111.128 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' GLY . 50.9 mt-10 -102.4 94.49 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.474 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -35.01 108.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 67' ' ' ASP . . . 173.45 13.59 0.02 OUTLIER Glycine 0 CA--C 1.519 0.313 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 m -104.45 151.4 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.27 -0.465 . . . . 0.0 110.827 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.7 m -135.34 136.47 41.55 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . 165.57 105.6 0.19 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 54' ' ' GLY . 37.5 mt-10 -51.53 -170.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.792 0.33 . . . . 0.0 111.026 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.95 175.06 39.55 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.49 129.0 34.82 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.984 0.421 . . . . 0.0 110.564 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 tp -134.49 108.25 8.01 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -97.95 134.81 40.55 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.0 tt -135.71 126.62 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.473 . . . . 0.0 111.306 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -113.49 46.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.19 -160.2 8.59 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.1 p -107.49 126.71 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 115.637 -0.281 . . . . 0.0 110.664 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 p -135.74 122.29 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 120.895 0.379 . . . . 0.0 111.21 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 50' ' ' GLY . 52.0 pttt -127.04 144.08 51.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.286 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 84' ' ' SER . . . 126.06 -135.68 9.22 Favored Glycine 0 N--CA 1.47 0.9 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.9 t0 -113.52 113.04 24.57 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.125 0.488 . . . . 0.0 110.855 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.6 t -117.0 128.07 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.668 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.7 ttm-85 -127.14 126.03 42.21 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.915 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 71' ' ' GLY . 14.8 p -162.89 169.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.134 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.471 ' N ' ' CG2' ' A' ' 70' ' ' VAL . . . -73.14 -72.04 1.02 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -114.67 120.51 40.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.242 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 tp -104.3 129.6 52.15 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.982 0.42 . . . . 0.0 110.729 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.0 m -123.52 112.68 17.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.547 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -82.63 108.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.248 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.8 -159.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 CA-C-N 114.881 -1.054 . . . . 0.0 113.147 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -84.85 -23.95 28.79 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 51.5 m -66.89 -26.31 66.81 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.169 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.0 39.07 78.12 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-O 118.675 -1.07 . . . . 0.0 114.925 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 78' ' ' THR . 5.8 m80 -111.28 112.96 25.1 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.439 1.62 . . . . 0.0 110.46 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -148.57 110.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.778 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 65' ' ' LYS . 26.0 tt0 -138.17 107.09 5.97 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.056 0.455 . . . . 0.0 110.464 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.16 -155.23 26.3 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 109.849 -1.301 . . . . 0.0 109.849 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 66' ' ' GLY . 3.1 m -104.34 129.99 52.2 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.8 p -138.64 146.49 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.09 0.471 . . . . 0.0 111.326 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -136.1 128.99 31.17 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.937 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.463 ' O ' ' OG ' ' A' ' 102' ' ' SER . . . -158.94 140.1 12.99 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.833 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 88' ' ' GLU . 1.2 mm-40 -54.89 -50.44 68.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.222 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.05 146.95 52.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.987 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -153.1 135.29 6.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.13 0.49 . . . . 0.0 111.616 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -119.82 114.96 22.9 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.139 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -88.97 136.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.124 0.488 . . . . 0.0 112.072 -178.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -135.01 19.29 3.45 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . -160.12 -152.65 6.61 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.406 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 79' ' ' GLY . 60.7 mtp180 -108.04 134.6 50.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 122.188 0.994 . . . . 0.0 113.083 -177.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 p -139.74 119.52 13.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.422 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.6 m -134.9 127.09 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.778 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.17 -87.54 0.14 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -166.31 130.79 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.309 . . . . 0.0 110.399 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.47 143.23 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.1 0.476 . . . . 0.0 110.807 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.2 m -132.93 129.67 38.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.112 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 87' ' ' ALA . 17.2 t -154.77 158.63 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.617 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 2.0 mptp? -80.36 -34.08 36.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.288 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -143.88 133.12 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.865 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.52 149.33 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.072 0.463 . . . . 0.0 111.256 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -140.58 115.79 9.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.425 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.491 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 7.6 mp -77.81 96.87 5.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.024 0.44 . . . . 0.0 111.438 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 13.6 m-85 -93.1 161.35 14.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.215 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.612 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 67.59 176.3 9.26 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.573 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 m -73.26 28.02 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.612 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.0 t -54.84 162.78 1.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.984 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -134.7 150.86 50.65 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.317 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.41 115.54 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.841 0.353 . . . . 0.0 110.428 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -133.93 106.73 7.42 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.948 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.64 -168.94 34.97 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.76 115.44 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.0 tt -117.81 140.45 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.058 0.456 . . . . 0.0 110.944 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.3 m -136.81 122.06 19.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.685 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.566 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -158.98 167.74 28.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 111.109 -179.188 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -94.3 -44.5 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.174 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -126.11 128.06 46.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.463 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.47 147.63 50.68 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.16 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.22 153.63 49.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.138 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.405 ' O ' ' OE2' ' A' ' 125' ' ' GLU . 4.4 mtp -131.05 132.73 45.12 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.622 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 124' ' ' MET . 17.9 mm-40 -122.11 163.15 19.98 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.439 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.0 m -43.76 112.67 0.42 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.183 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 109.61 6.59 28.72 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.39 117.27 28.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.965 0.412 . . . . 0.0 110.779 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -127.89 114.45 17.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -132.16 108.68 9.43 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -128.52 98.57 5.07 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 175.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.87 178.06 34.34 Favored Glycine 0 C--N 1.317 -0.505 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -81.35 109.0 15.44 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 t -87.75 135.47 33.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.8 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.133 179.774 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.772 0.32 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.02 108.67 6.6 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.444 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.4 mp -99.71 128.72 45.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.182 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 44' ' ' ALA . 47.0 t -65.69 -168.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.731 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.506 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -82.54 -28.66 30.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -69.46 10.17 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.507 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -102.86 130.1 49.77 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.509 0.671 . . . . 0.0 110.902 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.0 t -138.55 118.8 13.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.322 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.552 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.4 mp -86.89 133.49 29.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -134.99 138.79 44.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.335 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.09 -86.65 1.39 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.81 120.93 0.89 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.21 132.31 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.96 0.41 . . . . 0.0 110.519 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 m -112.54 138.96 48.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.378 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.6 -164.08 30.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -170.01 123.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.03 -172.41 20.66 Favored Glycine 0 N--CA 1.464 0.566 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.7 112.94 13.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 0.0 110.275 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.3 tp -109.08 106.97 17.12 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -94.35 110.92 22.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 tt -128.52 125.51 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.359 0.599 . . . . 0.0 111.693 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.465 ' O ' ' OG1' ' A' ' 78' ' ' THR . 0.9 OUTLIER -110.08 52.47 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.21 -159.42 7.91 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.498 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.5 t -105.76 125.66 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.124 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.3 t -110.36 121.73 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 120.909 0.385 . . . . 0.0 111.184 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -124.53 144.16 50.27 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.613 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.89 -160.84 26.55 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -79.92 150.7 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.821 0.343 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 86' ' ' TYR . 2.4 t -132.84 108.9 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.824 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.404 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 77.8 mtm180 -107.4 110.36 22.32 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.206 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 71' ' ' GLY . 77.8 t -158.04 164.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.256 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.505 ' N ' ' CG1' ' A' ' 70' ' ' VAL . . . -75.22 -68.06 1.62 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mtm-85 -116.97 118.63 32.94 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.8 tp -102.81 122.65 44.93 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 110.844 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -115.11 115.78 27.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.574 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.8 t -82.6 108.81 15.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.973 0.416 . . . . 0.0 110.442 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -49.48 -161.1 0.01 OUTLIER Glycine 0 CA--C 1.527 0.842 0 CA-C-N 114.68 -1.145 . . . . 0.0 113.595 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -84.46 -23.31 29.99 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 67.3 m -67.03 -25.19 66.16 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.23 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.5 38.51 80.83 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-O 118.882 -0.955 . . . . 0.0 114.432 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -112.94 113.48 25.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.048 1.424 . . . . 0.0 110.231 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -147.59 112.91 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.311 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -136.96 108.56 6.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.531 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.71 -156.43 27.6 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 m -101.74 116.46 32.78 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.11 111.4 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.395 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 68' ' ' VAL . 58.2 m-85 -114.04 117.78 32.26 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.69 178.49 6.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.031 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -80.2 -56.37 4.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.545 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.54 145.1 49.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.856 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.403 ' O ' ' CG2' ' A' ' 90' ' ' VAL . 3.7 m -138.7 123.42 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 121.132 0.491 . . . . 0.0 111.197 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -104.69 118.02 35.54 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.431 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.505 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.5 t -98.12 138.78 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 111.803 -178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.8 mtm105 -137.05 19.48 3.0 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.11 -150.92 6.0 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.431 -177.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -106.87 134.23 50.33 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 122.279 1.037 . . . . 0.0 113.404 -177.421 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.9 t -123.24 122.44 65.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 113.854 -1.521 . . . . 0.0 109.011 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.3 107.67 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.825 0.345 . . . . 0.0 110.573 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 155.8 -103.35 0.23 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -157.41 144.51 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.443 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.34 135.8 15.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.675 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.4 m -133.34 131.66 40.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.208 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.2 m -165.11 158.03 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -70.33 -17.81 63.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -146.92 144.59 29.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.975 0.417 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.3 t -144.44 137.13 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.292 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -141.58 106.85 5.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.608 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mt -86.1 96.14 9.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.036 0.446 . . . . 0.0 111.706 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 92' ' ' VAL . 50.6 m-85 -94.02 163.02 13.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.552 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.635 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 63.04 -167.49 21.87 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.227 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.2 p -67.9 31.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.185 -0.507 . . . . 0.0 109.805 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.635 ' H ' ' C ' ' A' ' 109' ' ' GLY . 5.2 p -45.43 143.42 1.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.573 0.701 . . . . 0.0 112.032 -177.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -144.86 127.06 15.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.732 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.97 125.47 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 120.964 0.411 . . . . 0.0 111.032 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -132.96 105.21 6.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.5 -145.02 11.23 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.515 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -92.03 123.99 35.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.843 0.354 . . . . 0.0 110.631 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -116.7 139.46 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.83 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.2 m -148.37 136.37 20.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.951 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER 178.85 162.8 0.76 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.43 . . . . 0.0 110.788 -179.693 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -93.38 -36.54 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.694 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -128.38 139.57 52.31 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.583 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.53 149.62 28.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.088 0.47 . . . . 0.0 111.057 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.446 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -144.05 128.19 17.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.695 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -104.81 119.03 38.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.245 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.465 ' N ' ' OE1' ' A' ' 125' ' ' GLU . 22.0 mp0 -103.94 157.93 16.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.284 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 t -41.39 144.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.731 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.37 0.19 80.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.42 115.88 28.4 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.169 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -129.52 102.04 6.21 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.482 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 12.8 p90 -132.99 122.78 24.73 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.88 99.82 7.17 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.86 175.36 34.41 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -83.39 109.14 17.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.2 t -91.07 112.99 25.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.0 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.9 mt . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.414 179.739 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.889 0.376 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.51 128.27 21.74 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.957 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 34.5 mt -100.31 136.95 39.41 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.3 m -63.95 -170.45 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.556 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.97 -25.63 23.07 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.015 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.98 16.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.682 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -109.08 130.33 55.48 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.324 0.583 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.53 114.45 14.89 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.02 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.5 mm -86.82 146.04 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -135.05 138.85 44.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.367 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.28 -67.6 3.59 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.41 137.11 2.73 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -129.72 151.43 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.456 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 p -107.62 110.11 21.91 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.777 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.22 -146.08 19.48 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -173.25 156.44 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 0.0 110.624 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.86 -147.29 29.86 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.93 135.39 34.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.456 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.419 ' C ' ' CD1' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -142.12 108.16 5.2 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.556 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -97.53 101.93 13.57 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 12.1 tt -98.85 116.44 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.321 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.451 ' O ' ' OG1' ' A' ' 78' ' ' THR . 2.4 p30 -105.67 51.93 0.74 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.87 -159.79 8.47 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.5 112.01 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.059 0.457 . . . . 0.0 110.586 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.63 124.81 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.48 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -124.25 128.81 49.72 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.504 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.25 -159.57 16.83 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -89.83 128.49 36.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.813 0.34 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -116.88 126.56 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.559 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -123.59 118.9 28.38 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.466 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 71' ' ' GLY . 14.2 p -167.28 169.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.679 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 70' ' ' VAL . . . -64.89 -77.41 0.25 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -114.84 118.77 34.46 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tt -109.28 125.64 52.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.686 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.8 p -127.58 124.77 38.94 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.648 0.261 . . . . 0.0 110.57 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 1.0 OUTLIER -83.35 114.96 24.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 121.29 0.567 . . . . 0.0 109.887 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.9 -158.04 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.978 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -77.17 -21.24 54.33 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.052 -0.574 . . . . 0.0 112.465 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 20.8 m -67.0 -27.11 67.16 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 119.451 -0.899 . . . . 0.0 108.84 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.85 37.03 61.03 Favored Glycine 0 CA--C 1.524 0.634 0 CA-C-O 118.674 -1.07 . . . . 0.0 114.606 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -110.3 112.64 24.73 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.643 1.722 . . . . 0.0 110.281 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -149.52 115.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.735 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -139.04 107.03 5.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.014 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.09 -155.31 26.39 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.471 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 10.4 t -102.0 119.01 38.1 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.67 123.54 57.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.956 0.407 . . . . 0.0 111.24 -179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.471 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 96.2 m-85 -121.79 118.03 28.02 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.872 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.07 167.88 17.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.784 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' OE1' ' A' ' 104' ' ' GLN . 5.6 mm-40 -80.21 -35.47 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.169 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.53 153.66 46.25 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.066 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.7 m -149.35 125.78 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.787 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -114.87 116.09 28.01 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.192 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.475 ' O ' ' O ' ' A' ' 108' ' ' TYR . 5.9 t -96.08 134.27 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.216 0.532 . . . . 0.0 112.426 -178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.453 ' H ' HG22 ' A' ' 75' ' ' VAL . 64.5 mtt-85 -136.97 18.97 3.0 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.03 -151.66 6.25 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.807 -177.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 74.5 mtp180 -107.69 134.46 50.64 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.938 0.875 . . . . 0.0 113.125 -177.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.4 p -138.13 130.45 39.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.31 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 5.7 p -138.12 115.34 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.008 0.432 . . . . 0.0 110.979 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.91 -87.31 0.11 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.69 144.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 pt -142.73 147.01 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 111.282 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.2 m -132.84 121.13 22.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.207 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 p -162.7 155.53 19.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.693 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -74.71 -31.99 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 88' ' ' GLU . 24.3 mp0 -125.99 132.89 51.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.337 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.44 135.03 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -138.14 111.48 8.01 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.773 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.3 93.88 9.27 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.338 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.475 ' O ' ' O ' ' A' ' 92' ' ' VAL . 32.3 m-85 -96.49 161.08 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.483 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.611 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 60.79 -162.7 21.04 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.286 178.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.4 p -67.57 32.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.041 -0.579 . . . . 0.0 110.31 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.611 ' H ' ' C ' ' A' ' 109' ' ' GLY . 15.3 t -45.14 129.29 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.281 0.562 . . . . 0.0 111.54 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -132.93 112.15 11.63 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.395 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.62 122.98 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.023 0.44 . . . . 0.0 110.425 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -132.72 107.93 8.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.3 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 151.07 -142.54 9.62 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.458 ' OD1' ' CD1' ' A' ' 135' ' ' LEU . 28.9 t0 -93.97 130.49 40.06 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.772 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.4 133.96 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.895 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.0 m -143.45 118.14 9.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.004 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -166.58 155.6 10.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.091 0.472 . . . . 0.0 110.953 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -87.34 -43.29 12.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.608 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -117.76 136.29 53.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.584 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.14 149.45 41.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.128 0.489 . . . . 0.0 110.833 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -144.96 121.08 10.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.762 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 124' ' ' MET . 1.1 mmt -104.87 134.85 47.3 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 110.817 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 36.7 mp0 -125.11 164.99 19.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.483 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.5 m -48.97 140.39 9.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.376 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 92.73 -0.03 69.74 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.37 116.0 28.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -129.52 103.56 6.95 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 130' ' ' PHE . 9.2 p90 -130.89 114.86 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.473 ' NE2' ' N ' ' A' ' 131' ' ' GLN . 3.2 mp0 -114.46 100.23 8.15 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.37 176.06 33.86 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -82.43 108.83 16.14 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 34.9 t -86.81 117.95 25.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.721 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.458 ' CD1' ' OD1' ' A' ' 116' ' ' ASP . 26.7 mt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.343 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.782 0.325 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 tp -140.68 111.99 7.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.58 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mp -101.66 120.75 40.82 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.277 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -52.61 179.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.722 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.54 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.6 -34.98 17.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -72.79 30.89 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.54 ' H ' ' C ' ' A' ' 44' ' ' ALA . 5.5 tp -128.9 143.12 50.8 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.328 0.585 . . . . 0.0 111.106 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 t -133.68 135.83 44.34 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.011 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.56 145.24 7.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.17 0.509 . . . . 0.0 111.171 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -135.21 137.8 43.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.17 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 -109.11 2.97 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.04 123.53 1.31 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 m -106.24 149.99 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.771 0.32 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.6 t -142.72 145.8 33.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.497 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.0 97.53 0.11 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -55.93 139.5 46.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.716 0.294 . . . . 0.0 110.618 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.75 -163.35 23.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.15 116.47 29.06 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 tp -112.43 108.61 17.81 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.826 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.414 HE22 ' CA ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -100.71 102.21 13.26 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 76' ' ' GLY . 16.0 tt -109.91 135.07 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.096 0.474 . . . . 0.0 111.597 -178.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.527 ' CG ' ' HG1' ' A' ' 78' ' ' THR . 28.4 t70 -125.14 47.12 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -142.15 -158.83 7.69 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.288 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.1 p -106.34 138.33 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.287 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.76 125.16 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 120.868 0.366 . . . . 0.0 111.305 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -124.81 91.33 3.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.322 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.02 -155.93 26.74 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.29 155.68 17.38 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.795 0.331 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.5 t -137.85 136.63 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -127.99 119.42 25.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.185 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.488 ' CG2' ' H ' ' A' ' 71' ' ' GLY . 13.5 p -168.06 171.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.877 0.37 . . . . 0.0 111.111 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.488 ' H ' ' CG2' ' A' ' 70' ' ' VAL . . . -76.04 -66.67 1.82 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -114.67 122.78 47.51 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tt -111.27 110.17 20.52 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.881 0.372 . . . . 0.0 110.611 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 m -103.94 118.88 37.72 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.285 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.5 t -83.77 106.68 14.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.209 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -50.29 -162.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 CA-C-N 115.151 -0.932 . . . . 0.0 113.011 -178.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.496 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -84.12 -19.52 34.07 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.445 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.527 ' HG1' ' CG ' ' A' ' 61' ' ' ASP . 62.8 m -67.17 -26.76 66.8 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.857 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.23 37.56 65.06 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 114.963 -1.017 . . . . 0.0 114.172 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -112.38 113.67 25.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.818 1.309 . . . . 0.0 109.784 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -147.58 117.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.548 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -137.85 108.33 6.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.114 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.28 -155.8 26.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.42 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 8.2 t -104.74 118.24 36.07 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.9 t -97.58 126.06 50.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.054 0.454 . . . . 0.0 110.977 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.42 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 72.8 m-85 -127.49 117.22 21.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.829 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' A' ' 102' ' ' SER . . . -164.56 178.41 7.38 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.798 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -91.62 -34.15 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.134 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.85 143.8 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.705 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -138.52 130.61 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.161 0.505 . . . . 0.0 111.452 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.467 ' CD ' HH21 ' A' ' 106' ' ' ARG . 20.5 mt-10 -115.43 106.39 13.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.273 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.509 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -88.39 135.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.439 . . . . 0.0 112.081 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.89 18.97 3.02 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.457 ' N ' ' HG ' ' A' ' 111' ' ' SER . . . -160.38 -153.26 6.86 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.74 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.3 mtp180 -108.59 139.7 43.0 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 -177.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.65 136.4 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.042 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.82 119.17 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.423 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.78 -99.61 0.19 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.89 148.25 15.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 pt -143.24 139.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.126 0.489 . . . . 0.0 111.256 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.6 m -133.2 117.36 17.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.579 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 87' ' ' ALA . 9.6 t -159.68 166.77 29.89 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.481 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -73.65 -47.59 38.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.753 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -128.08 142.96 51.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.884 0.373 . . . . 0.0 110.806 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.5 m -133.46 120.59 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.169 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.467 HH21 ' CD ' ' A' ' 91' ' ' GLU . 56.8 mtm-85 -118.45 107.89 14.36 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.526 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.57 96.57 10.14 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.134 0.492 . . . . 0.0 111.445 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.509 ' O ' ' O ' ' A' ' 92' ' ' VAL . 27.2 m-85 -93.39 162.78 13.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.177 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.639 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.12 177.8 5.2 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 p -71.06 28.84 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.639 ' H ' ' C ' ' A' ' 109' ' ' GLY . 74.2 m -48.34 158.15 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.853 -177.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -140.27 132.67 28.44 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.558 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.46 124.11 24.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -134.9 116.69 15.03 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.667 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.95 -154.08 25.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.13 134.4 35.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.696 0.284 . . . . 0.0 110.408 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.41 142.26 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 120.968 0.414 . . . . 0.0 110.445 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 43.4 p -149.71 89.3 1.61 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.877 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.09 160.83 39.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.7 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 10.8 mp0 -100.73 -32.74 10.57 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.764 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -116.72 126.59 53.37 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.905 0.384 . . . . 0.0 110.274 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 122' ' ' LEU . 4.2 mm? -104.34 134.15 48.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.386 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.408 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -151.55 128.6 11.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.778 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.575 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -143.39 139.61 30.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.73 -179.441 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -120.78 172.87 7.58 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.013 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.3 m -42.43 122.89 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.622 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 105.24 9.57 33.62 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.45 116.97 27.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.041 0.448 . . . . 0.0 111.225 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.42 104.74 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 130' ' ' PHE . 1.2 t80 -131.62 109.03 9.93 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.018 0.437 . . . . 0.0 111.997 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -131.7 100.27 5.06 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.46 178.19 33.92 Favored Glycine 0 C--N 1.317 -0.477 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -80.54 108.31 14.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.4 p -97.44 124.74 41.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.185 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.032 179.381 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.85 0.357 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.5 m -136.64 17.82 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.251 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -155.38 53.43 0.61 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 p -55.99 161.07 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.439 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 tt -141.86 110.91 6.28 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.581 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 10.1 mp -100.05 113.17 25.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.1 m -52.16 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.559 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.36 -28.46 22.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -72.96 24.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.322 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.559 ' H ' ' C ' ' A' ' 44' ' ' ALA . 45.4 mt -122.88 142.75 50.44 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.361 0.6 . . . . 0.0 111.026 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.29 135.03 38.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.4 mm -87.59 144.79 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.749 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.28 138.36 43.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.47 -95.12 0.51 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.41 141.29 6.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -135.66 145.78 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -109.79 169.34 8.78 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.466 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.32 -179.6 48.76 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -144.66 149.71 36.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.53 -155.25 27.97 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -88.88 134.0 34.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.961 0.41 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -119.08 107.23 13.24 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.551 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -92.36 113.75 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.1 tt -129.38 127.84 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.173 0.511 . . . . 0.0 111.823 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' O ' ' OG1' ' A' ' 78' ' ' THR . 10.3 p-10 -121.81 48.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.0 -159.63 8.21 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.402 -178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 m -106.35 134.87 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.333 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.67 120.33 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 120.921 0.391 . . . . 0.0 110.742 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.84 90.79 3.31 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.3 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.7 -139.65 8.4 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.91 158.86 17.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.5 t -145.75 130.61 12.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -128.73 121.88 29.42 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.881 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.43 ' CG2' ' H ' ' A' ' 71' ' ' GLY . 9.3 p -167.73 173.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.058 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.43 ' H ' ' CG2' ' A' ' 70' ' ' VAL . . . -78.96 -68.62 1.47 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.661 -0.975 . . . . 0.0 110.661 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -112.19 142.34 44.78 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tt -135.14 114.17 12.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 111.418 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.8 m -106.34 118.45 36.69 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.713 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.8 t -83.23 108.4 15.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.295 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.53 -161.52 0.01 OUTLIER Glycine 0 CA--C 1.526 0.753 0 CA-C-N 115.177 -0.92 . . . . 0.0 113.093 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -84.45 -20.83 31.14 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 90.4 m -66.86 -27.2 67.34 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.802 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.92 38.99 66.56 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-O 118.862 -0.965 . . . . 0.0 114.069 175.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -115.58 114.53 25.06 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.156 1.478 . . . . 0.0 110.89 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.88 113.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.396 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -131.64 107.94 9.17 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.347 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.79 -155.86 26.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -113.85 115.73 28.19 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.4 p -109.56 130.69 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.189 0.518 . . . . 0.0 111.282 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -121.01 118.08 28.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.488 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.22 176.65 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.76 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.437 ' N ' ' OE1' ' A' ' 88' ' ' GLU . 1.3 mm-40 -91.42 -36.43 13.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.734 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.72 144.81 25.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.1 m -147.1 140.78 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 121.169 0.509 . . . . 0.0 111.708 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -117.09 110.52 18.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.022 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -88.15 134.9 26.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.547 . . . . 0.0 112.032 -178.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -135.19 18.66 3.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.58 -154.11 7.23 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.121 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 59.8 mtt-85 -108.21 133.47 52.41 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.15 0.976 . . . . 0.0 113.36 -177.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.03 108.66 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.656 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.9 128.3 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.973 0.416 . . . . 0.0 110.839 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.34 -92.69 0.13 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.12 136.16 6.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 110.389 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.406 HG22 HD11 ' A' ' 100' ' ' ILE . 5.8 tt -131.47 139.58 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.2 m -133.42 106.56 7.55 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.75 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.0 m -162.14 139.29 8.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 0.0 110.689 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -68.58 -23.52 64.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -126.12 127.43 45.76 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.716 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -146.88 136.58 16.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.61 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -140.37 115.01 9.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.793 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' ' 107' ' ' LEU . 10.7 mp -84.35 95.5 8.76 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 111.144 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 92' ' ' VAL . 20.0 m-85 -94.21 161.58 14.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.724 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.637 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.6 178.59 6.26 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.891 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.0 p -70.82 27.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.637 ' H ' ' C ' ' A' ' 109' ' ' GLY . 17.1 p -52.05 169.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.678 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.519 ' CD2' ' O ' ' A' ' 129' ' ' PHE . 6.6 t80 -149.43 145.93 27.19 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.231 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 t -138.76 125.67 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.928 0.394 . . . . 0.0 110.717 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -133.94 108.31 8.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.681 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.16 -159.89 29.71 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -88.37 117.29 27.19 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.4 mt -105.41 142.44 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.196 0.522 . . . . 0.0 110.888 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.3 m -144.47 102.12 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.587 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.461 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -147.44 143.81 28.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.02 0.438 . . . . 0.0 111.337 -179.247 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.515 ' OE2' ' CD1' ' A' ' 137' ' ' PHE . 46.0 mm-40 -82.5 -45.18 15.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.822 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -117.05 124.83 50.23 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.628 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.91 149.32 48.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.185 0.517 . . . . 0.0 111.182 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -139.51 130.46 26.29 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.889 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.4 mmt -105.1 123.59 48.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -115.23 147.21 40.64 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.976 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -39.74 118.87 0.91 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.937 0.398 . . . . 0.0 110.839 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 116.08 3.99 18.99 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.66 115.04 27.72 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.828 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.519 ' O ' ' CD2' ' A' ' 112' ' ' TYR . 79.0 m-85 -130.37 102.41 6.17 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 18.4 p90 -132.61 123.3 26.16 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -120.42 99.73 6.74 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.53 176.36 33.9 Favored Glycine 0 C--N 1.319 -0.411 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -83.47 108.44 16.62 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.0 m -98.74 140.77 32.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.616 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 51.3 mt -118.06 109.3 16.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.109 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -87.76 141.37 28.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.27 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.515 ' CD1' ' OE2' ' A' ' 120' ' ' GLU . 69.0 t80 -80.83 109.4 15.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.475 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -81.57 -74.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.602 -179.759 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.2 mttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.778 0.323 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.71 96.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.674 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.96 84.92 2.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.422 ' OG ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -64.54 162.33 15.65 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 tp -137.81 110.06 7.36 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.837 0.351 . . . . 0.0 111.071 -179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 9.6 mp -101.93 123.1 45.27 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.138 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 m -58.82 -172.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.557 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.84 -25.99 20.75 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.791 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.47 29.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.39 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.557 ' H ' ' C ' ' A' ' 44' ' ' ALA . 75.9 mt -126.04 128.46 47.45 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.318 0.58 . . . . 0.0 111.147 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.42 109.72 13.07 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.464 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.7 mt -86.15 136.8 22.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.037 0.446 . . . . 0.0 111.232 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -135.54 139.46 43.96 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.351 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.13 -110.91 4.0 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.33 101.86 0.21 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.46 147.87 4.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.51 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.9 p -123.01 151.24 42.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.406 ' H ' HH21 ' A' ' 69' ' ' ARG . . . -169.77 -177.93 40.53 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -143.54 -173.38 3.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.807 0.337 . . . . 0.0 110.483 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 53.99 -141.08 33.85 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -106.11 139.83 40.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.814 0.34 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.422 ' CD1' ' OG ' ' A' ' 40' ' ' SER . 51.1 tp -132.57 110.47 10.49 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -95.76 103.14 15.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.703 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 76' ' ' GLY . 19.4 tt -108.81 139.61 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.302 0.572 . . . . 0.0 111.645 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' OG1' ' A' ' 78' ' ' THR . 36.5 t70 -129.61 53.64 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.862 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -149.17 -159.81 8.79 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.86 136.98 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 110.568 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.39 125.8 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 121.01 0.433 . . . . 0.0 110.852 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -124.57 110.25 14.22 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.77 -156.63 25.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.61 140.62 30.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.952 0.406 . . . . 0.0 110.245 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -128.09 112.28 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.505 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.46 ' C ' ' HE ' ' A' ' 69' ' ' ARG . 1.2 tmm_? -112.32 116.0 29.67 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.44 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -165.04 169.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.43 -67.79 1.78 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -124.7 119.83 30.07 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.352 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.9 tp -103.61 121.87 43.81 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.67 118.25 34.51 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.622 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.51 109.13 16.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.051 0.453 . . . . 0.0 110.859 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -54.62 -157.5 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 CA-C-N 114.701 -1.136 . . . . 0.0 113.075 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 15.4 mt-10 -84.37 -23.59 30.06 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -178.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.444 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 7.4 p -66.98 -26.62 66.9 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 119.044 -1.062 . . . . 0.0 108.954 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.67 39.19 75.02 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.032 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 78' ' ' THR . 63.4 m80 -108.42 111.45 23.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.364 1.582 . . . . 0.0 110.766 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -149.6 112.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.768 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -138.97 106.76 5.64 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.202 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.87 -155.39 26.45 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.4 p -99.11 116.06 30.46 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.44 134.11 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.66 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -132.31 118.05 18.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.053 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.47 178.03 7.05 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.223 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -94.57 -42.3 8.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.531 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.01 139.16 51.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.47 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.98 111.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -105.59 107.51 18.54 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.6 t -87.81 135.56 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.276 0.56 . . . . 0.0 112.336 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -135.98 20.27 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.0 -153.67 6.91 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.183 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 27.5 mtm180 -108.02 140.03 41.78 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.367 1.08 . . . . 0.0 113.716 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.26 128.19 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 114.025 -1.443 . . . . 0.0 108.973 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.8 m -138.94 116.16 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 111.347 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.97 -89.29 0.12 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -166.81 147.12 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.2 pt -146.49 141.91 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 111.098 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.8 m -132.89 118.5 19.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.852 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.1 m -158.58 164.48 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.185 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.522 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.0 mptt -75.89 -47.14 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.559 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -134.3 134.23 41.64 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.734 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.14 132.77 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -123.52 132.54 53.93 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.812 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 8.9 mp -89.73 96.39 10.67 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.338 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 92' ' ' VAL . 16.4 m-85 -93.64 161.77 14.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.636 178.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.657 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 66.47 176.8 7.57 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.866 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -70.23 28.17 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.657 ' H ' ' C ' ' A' ' 109' ' ' GLY . 20.6 t -52.68 169.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.9 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.435 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 5.1 t80 -149.43 146.43 27.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.046 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.55 121.86 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 120.902 0.382 . . . . 0.0 110.674 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -133.32 108.75 8.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.67 -160.0 29.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.33 122.03 31.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.721 0.296 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.74 133.83 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.043 0.449 . . . . 0.0 110.704 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.6 m -131.03 97.14 4.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.514 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.477 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -144.89 161.66 38.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.999 0.428 . . . . 0.0 111.114 -178.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -99.43 -45.37 5.86 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.728 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -118.07 134.43 54.99 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.783 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.0 149.76 31.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 111.025 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.51 145.24 44.87 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.848 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.546 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 21.7 mmt -117.4 113.06 21.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -102.9 156.58 17.56 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.37 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.0 t -44.58 121.38 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 112.25 3.36 26.03 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.59 115.56 28.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.772 0.32 . . . . 0.0 111.366 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 48.5 m-85 -129.52 101.79 6.1 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.546 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 21.6 p90 -132.6 120.54 21.94 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -120.6 100.42 7.12 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.8 176.28 33.36 Favored Glycine 0 C--N 1.318 -0.431 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -82.48 108.8 16.16 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 25.1 t -85.26 146.79 26.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.01 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tt -129.82 109.99 11.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.546 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -92.52 115.06 27.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.272 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -50.21 121.06 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.694 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -88.99 150.1 22.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.614 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.43 ' CD ' ' C ' ' A' ' 139' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.677 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 mttm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.879 0.371 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.55 -62.89 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.501 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.87 129.34 54.05 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.601 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 m -130.4 121.72 26.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.273 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 10.4 mp -102.15 120.95 41.29 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.348 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 50.2 mt -116.37 116.1 27.1 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.314 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.413 ' HG ' ' H ' ' A' ' 45' ' ' ASP . 6.4 p -61.93 -168.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -84.26 -26.01 28.95 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.413 ' H ' ' HG ' ' A' ' 43' ' ' SER . 69.1 m-20 -68.67 7.48 0.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.0 mm? -101.89 131.51 48.21 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.322 0.582 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 109.74 9.34 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.925 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.8 mt -86.51 142.37 13.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.944 0.402 . . . . 0.0 110.783 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -136.07 140.61 43.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.593 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.1 -90.78 1.52 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.92 119.29 0.54 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -101.79 151.24 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.612 0.244 . . . . 0.0 110.371 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 128.27 24.82 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.869 0.366 . . . . 0.0 110.556 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.25 109.09 0.24 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -53.85 174.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.754 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.12 -173.56 23.42 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -89.94 134.47 34.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.9 tp -130.46 106.77 8.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.91 0.386 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.92 101.92 13.48 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 76' ' ' GLY . 12.4 tt -113.34 130.9 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.337 0.589 . . . . 0.0 112.334 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' O ' ' OG1' ' A' ' 78' ' ' THR . 5.5 p-10 -122.78 60.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.92 -158.35 8.77 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.44 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.4 t -105.54 113.08 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.464 -0.368 . . . . 0.0 110.631 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.5 p -115.33 121.08 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 121.058 0.456 . . . . 0.0 110.204 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -124.47 132.23 53.49 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.51 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.85 -157.68 18.3 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.4 118.67 31.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.835 0.35 . . . . 0.0 110.611 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 t -109.67 120.21 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.679 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -118.16 111.9 19.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 71' ' ' GLY . 75.7 t -154.33 161.76 2.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 110.617 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.465 ' N ' ' CG1' ' A' ' 70' ' ' VAL . . . -70.54 -49.81 29.05 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -134.14 119.04 18.38 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.67 113.87 26.52 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.3 m -105.44 120.62 42.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.713 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.95 108.16 15.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.08 0.467 . . . . 0.0 110.586 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -53.53 -158.47 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 CA-C-N 114.904 -1.044 . . . . 0.0 113.216 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -84.88 -23.66 28.86 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 7.6 m -66.86 -25.96 66.66 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.137 -1.025 . . . . 0.0 109.087 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.59 38.58 71.93 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-O 118.768 -1.018 . . . . 0.0 114.523 175.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.417 ' ND1' ' O ' ' A' ' 78' ' ' THR . 12.5 m80 -112.61 113.28 25.35 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.335 1.567 . . . . 0.0 110.474 178.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.6 t -146.65 115.68 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.52 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -139.34 108.02 5.92 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.607 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.89 -155.53 26.59 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -102.15 115.91 31.55 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.8 t -103.15 134.91 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 121.051 0.453 . . . . 0.0 111.33 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -133.87 117.84 17.27 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.572 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.32 177.29 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.15 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -94.26 -43.4 8.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.08 140.65 50.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.277 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.45 111.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.585 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -103.87 105.68 15.95 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' A' ' 108' ' ' TYR . 51.7 t -88.56 136.49 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.205 0.526 . . . . 0.0 111.648 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -136.15 20.92 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.02 -151.07 5.99 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.676 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' GLY . 34.9 mtp180 -107.79 133.89 51.53 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.934 0.873 . . . . 0.0 112.991 -177.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 p -139.77 126.83 24.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.723 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.75 127.57 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.613 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.28 -96.97 0.17 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.76 133.52 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.06 138.26 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.618 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.5 m -133.21 139.42 46.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.373 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.466 ' OG ' ' CG2' ' A' ' 105' ' ' VAL . 7.1 p -172.15 172.36 4.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.468 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.7 mptt -82.58 -42.55 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.555 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.639 HE22 ' NE2' ' A' ' 121' ' ' GLN . 7.2 tp-100 -125.91 126.26 44.11 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.449 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.466 ' CG2' ' OG ' ' A' ' 102' ' ' SER . 92.3 t -132.88 128.96 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -131.02 119.21 21.7 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.908 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 9.2 mp -86.57 95.76 9.86 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.182 0.515 . . . . 0.0 110.843 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.52 ' CD2' ' OE2' ' A' ' 125' ' ' GLU . 16.4 m-85 -93.95 162.65 13.81 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.289 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.638 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.17 -159.55 4.92 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.269 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 t -67.36 31.53 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.219 -0.49 . . . . 0.0 110.217 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.638 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.1 p -45.49 134.54 6.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.402 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 129' ' ' PHE . 49.3 t80 -138.03 116.75 12.23 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.072 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -121.45 120.56 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 120.985 0.422 . . . . 0.0 110.71 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -132.94 105.68 7.24 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.67 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.45 -154.12 25.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -92.29 116.17 28.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.652 0.263 . . . . 0.0 110.468 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.6 tt -120.16 134.39 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.336 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.2 m -131.96 132.86 43.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.509 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.498 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -170.28 168.82 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.552 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -100.42 -36.55 9.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.639 ' NE2' HE22 ' A' ' 104' ' ' GLN . 22.1 mt-30 -126.44 133.14 51.31 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.0 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.23 149.28 44.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.416 . . . . 0.0 110.851 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.13 137.39 44.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.778 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.613 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.3 mmt -113.59 124.82 53.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.52 ' OE2' ' CD2' ' A' ' 108' ' ' TYR . 24.3 tt0 -120.44 151.91 38.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.164 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -40.06 137.02 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.848 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 93.92 1.68 65.2 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.24 116.27 28.69 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.66 0.267 . . . . 0.0 111.307 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.415 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 27.2 m-85 -130.43 103.5 6.7 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.613 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 3.6 p90 -132.74 119.22 20.05 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -120.06 100.17 7.04 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.95 176.81 33.31 Favored Glycine 0 C--N 1.32 -0.328 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -81.76 109.34 16.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.4 t -89.96 112.98 24.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.755 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.38 109.56 21.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.443 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.67 141.34 28.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.222 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -81.93 118.54 23.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.612 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -162.62 94.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.448 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 38' ' ' VAL . 76.9 mttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.8 0.333 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 37' ' ' LYS . 96.5 t 54.59 108.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.67 98.06 6.81 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.9 m -84.71 162.31 19.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.716 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.5 tp -135.74 126.74 27.8 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.348 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -118.1 136.36 53.63 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.455 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -64.61 -178.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.557 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.55 -18.06 27.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.09 25.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.187 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.557 ' H ' ' C ' ' A' ' 44' ' ' ALA . 12.7 mt -128.02 142.05 51.34 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.391 0.615 . . . . 0.0 110.951 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.2 p -136.61 128.19 28.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.18 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.428 HD11 HG21 ' A' ' 48' ' ' ILE . 16.2 mm -86.7 136.6 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.862 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -134.87 139.35 44.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.302 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.55 -100.14 2.63 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.89 116.31 0.7 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.51 151.18 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 t -145.17 130.99 19.08 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.606 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . 176.01 93.57 0.09 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 54' ' ' GLY . 19.6 mm-40 -48.37 178.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.766 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.85 -175.98 40.62 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -90.23 116.05 27.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.524 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 tp -116.52 112.05 20.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.552 HE22 ' CA ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -98.27 112.48 24.46 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.289 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.506 ' N ' ' NE2' ' A' ' 59' ' ' GLN . 11.5 tt -118.36 133.5 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.129 0.49 . . . . 0.0 111.621 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 78' ' ' THR . 25.0 t70 -117.27 50.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.065 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.77 -158.26 7.47 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.29 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 t -105.9 111.22 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 114.813 -0.693 . . . . 0.0 110.393 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.7 t -96.7 117.55 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.667 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -124.24 129.27 50.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.363 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.75 -150.95 18.03 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.48 150.45 22.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.851 0.358 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 t -134.56 125.1 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.423 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -128.4 119.69 25.47 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.673 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.48 ' CG2' ' N ' ' A' ' 71' ' ' GLY . 5.2 p -167.99 163.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.662 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.48 ' N ' ' CG2' ' A' ' 70' ' ' VAL . . . -68.7 -50.36 36.95 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -136.27 118.63 15.7 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.898 0.38 . . . . 0.0 110.061 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.0 tp -102.84 115.4 30.52 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.622 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.1 m -110.95 115.82 30.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.869 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.3 t -82.91 110.52 18.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.117 0.484 . . . . 0.0 110.7 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.552 ' CA ' HE22 ' A' ' 59' ' ' GLN . . . -51.62 -158.47 0.01 OUTLIER Glycine 0 CA--C 1.526 0.75 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.767 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 45.5 mt-10 -85.0 -18.31 34.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.552 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 93.6 m -67.27 -26.38 66.52 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.33 -0.948 . . . . 0.0 108.904 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.01 37.99 64.41 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 114.972 -1.013 . . . . 0.0 113.839 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -114.73 113.63 24.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.978 1.389 . . . . 0.0 110.712 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.4 t -147.87 111.48 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.515 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -133.15 107.45 8.2 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.855 0.359 . . . . 0.0 110.205 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.99 -155.6 26.67 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 p -101.54 127.11 48.39 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.8 t -112.15 134.24 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.917 0.389 . . . . 0.0 111.527 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -130.54 118.71 21.47 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.657 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.44 166.49 14.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.19 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -87.1 -32.57 19.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.728 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.67 140.57 48.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.554 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.2 111.27 4.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.043 0.449 . . . . 0.0 111.247 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -110.47 114.96 28.79 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.24 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 108' ' ' TYR . 18.1 t -103.92 136.45 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.159 0.504 . . . . 0.0 111.893 -178.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -129.97 20.06 5.46 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.65 -151.64 6.22 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.401 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 79' ' ' GLY . 64.6 mtm180 -107.01 134.48 50.1 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.289 1.042 . . . . 0.0 113.348 -177.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 p -138.03 128.54 36.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 113.994 -1.457 . . . . 0.0 109.199 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.63 125.79 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 110.969 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.49 -99.03 0.19 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.78 137.33 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 pt -142.36 143.11 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.811 0.338 . . . . 0.0 111.184 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.413 ' O ' ' CG2' ' A' ' 101' ' ' THR . 12.9 t -133.3 121.11 21.94 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.237 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.4 t -160.18 152.61 20.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.519 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.0 mptt -67.92 -33.37 74.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.738 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -134.09 138.06 45.03 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.448 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.3 t -138.61 128.15 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -127.96 110.53 12.62 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.835 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 107' ' ' LEU . 1.0 OUTLIER -87.91 96.85 10.64 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.119 0.485 . . . . 0.0 111.058 -179.144 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 14.4 m-85 -93.56 162.5 13.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.103 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.653 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 68.2 176.12 10.43 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.615 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -71.15 28.22 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.653 ' H ' ' C ' ' A' ' 109' ' ' GLY . 38.3 p -49.33 157.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.133 -0.939 . . . . 0.0 113.307 -177.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -132.94 128.31 36.2 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.921 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.6 t -123.68 121.53 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.989 0.424 . . . . 0.0 110.901 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -134.16 107.61 7.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.99 -163.75 34.99 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -97.75 117.43 32.04 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.793 0.33 . . . . 0.0 110.197 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.6 mt -102.53 142.56 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.189 0.519 . . . . 0.0 110.971 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.9 m -133.45 86.99 2.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.709 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -137.99 161.7 36.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.038 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -99.95 -28.56 13.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.04 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -130.13 129.41 43.49 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.184 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.16 149.12 48.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.38 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.25 120.81 12.51 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.207 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.0 mtp -104.99 126.84 52.49 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 110.713 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 13.3 mp0 -117.15 162.78 17.3 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.322 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.2 p -41.49 122.25 1.88 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.469 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 97.18 9.27 55.88 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.34 116.1 24.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 111.021 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -129.0 106.91 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -131.56 108.74 9.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -125.34 99.12 5.92 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.99 177.89 34.52 Favored Glycine 0 C--N 1.32 -0.346 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -81.44 108.48 15.08 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 t -91.75 129.82 37.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.532 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.6 mt -106.83 110.03 22.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -85.8 136.0 33.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.326 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -91.08 134.11 34.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -80.58 82.47 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.535 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.766 0.317 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.3 m -74.94 -16.98 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.251 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.65 35.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.279 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -153.69 159.06 41.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.45 143.14 45.74 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.309 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 mt -119.82 123.71 44.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.5 p -52.52 -179.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.057 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.552 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.36 -37.71 14.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.928 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 p-10 -71.49 29.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.801 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.552 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.4 tp -121.15 141.26 50.99 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.243 0.544 . . . . 0.0 111.106 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.6 m -133.2 132.29 41.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.933 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.561 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.5 mp -86.47 142.43 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.621 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -135.65 140.24 44.38 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.924 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.65 -107.13 2.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.43 128.23 1.97 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.3 127.66 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.907 0.384 . . . . 0.0 110.663 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 t -105.25 155.99 18.54 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.64 -162.84 16.45 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -163.84 156.33 17.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.45 -155.28 32.25 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -88.58 135.06 33.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 110.463 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 tp -135.73 111.84 9.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -88.65 101.53 14.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.981 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.1 tp -100.63 104.23 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 121.153 0.501 . . . . 0.0 110.584 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 78' ' ' THR . 31.9 t70 -105.87 41.76 1.35 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 80' ' ' HIS . . . -138.61 -160.13 8.31 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.464 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.7 p -107.32 119.9 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.184 0.516 . . . . 0.0 110.448 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -95.41 118.97 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 48' ' ' ILE . 22.7 tptp -122.78 104.14 9.1 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.46 -145.39 16.35 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 6.1 t70 -108.05 148.55 29.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.515 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.459 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 10.6 p -146.66 135.4 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.645 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -127.15 132.99 50.42 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.332 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.434 ' CG2' ' H ' ' A' ' 71' ' ' GLY . 9.8 p -168.02 174.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.525 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.434 ' H ' ' CG2' ' A' ' 70' ' ' VAL . . . -76.46 -73.69 1.0 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -113.66 119.57 37.9 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.415 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -102.15 122.85 44.95 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.964 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.4 m -116.05 115.41 26.06 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.841 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.7 t -83.24 107.15 14.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.025 0.441 . . . . 0.0 110.847 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -53.12 -158.81 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.507 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -84.9 -17.29 38.32 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.412 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 34.6 m -67.35 -26.88 66.7 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.987 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.75 38.12 63.41 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 114.969 -1.014 . . . . 0.0 114.301 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 62' ' ' GLY . 34.6 m170 -116.03 114.18 24.23 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.991 1.396 . . . . 0.0 110.399 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.9 t -147.77 111.12 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.974 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -139.04 109.48 6.54 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.048 0.452 . . . . 0.0 111.085 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.63 -155.78 26.9 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -100.78 115.71 30.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.48 133.25 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 110.985 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -133.39 117.46 17.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.637 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.3 175.85 11.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 110.932 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.66 -43.43 11.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.308 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.3 146.42 38.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.764 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -146.16 127.32 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.029 0.442 . . . . 0.0 111.477 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -108.92 122.85 48.09 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 108' ' ' TYR . 3.6 t -103.83 136.49 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.331 0.586 . . . . 0.0 112.155 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -135.12 19.82 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.47 -152.09 6.36 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.23 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -107.99 137.34 46.15 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.03 125.01 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-N 113.661 -1.609 . . . . 0.0 108.968 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.18 108.95 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 110.439 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.62 -94.74 0.14 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -169.0 140.12 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 pt -143.89 149.22 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.002 0.43 . . . . 0.0 111.608 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.9 m -132.03 116.92 17.7 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.283 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.2 p -152.56 147.57 26.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -76.08 -21.91 56.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -147.13 135.33 21.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.144 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 p -148.91 146.21 17.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.22 0.533 . . . . 0.0 111.152 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -138.59 117.08 12.06 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.245 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.3 96.76 9.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.067 0.461 . . . . 0.0 111.883 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 92' ' ' VAL . 16.4 m-85 -93.43 161.36 14.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.555 178.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.623 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 68.88 175.92 11.61 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.606 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.9 p -71.26 28.26 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.182 0.515 . . . . 0.0 109.89 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.623 ' H ' ' C ' ' A' ' 109' ' ' GLY . 20.9 p -49.5 158.43 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.403 -0.817 . . . . 0.0 113.145 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -140.59 109.56 6.08 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.628 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.0 t -112.8 116.44 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.067 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.433 ' OD2' ' O ' ' A' ' 131' ' ' GLN . 3.2 t70 -133.78 127.71 33.27 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.548 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 146.28 -172.12 26.96 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -75.91 104.27 6.37 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 17.2 tt -109.79 142.31 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.038 0.447 . . . . 0.0 111.377 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.2 m -132.47 121.36 23.25 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.407 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 155.08 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.717 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 1.1 mp0 -96.95 -46.67 6.12 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.361 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -118.26 128.22 54.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.306 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.15 140.24 39.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.078 0.466 . . . . 0.0 111.0 -179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -126.32 151.11 47.99 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.73 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.1 mtp -132.85 112.74 12.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.755 0.312 . . . . 0.0 110.843 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 125' ' ' GLU . 5.6 mp0 -101.32 170.62 8.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.176 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.0 t -44.9 129.54 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 91.9 9.24 62.67 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.99 116.71 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.109 0.48 . . . . 0.0 110.788 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -128.62 119.23 24.34 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 130' ' ' PHE . 40.3 t80 -131.96 111.89 11.93 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.433 ' O ' ' OD2' ' A' ' 114' ' ' ASP . 70.7 mm-40 -128.46 97.6 4.77 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 174.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.49 176.67 35.39 Favored Glycine 0 C--N 1.321 -0.26 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -83.19 109.56 17.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.4 t -86.44 126.04 34.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.165 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 135' ' ' LEU . 8.5 mp -95.62 129.0 42.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.841 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -82.1 129.66 34.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.693 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 137' ' ' PHE . 23.4 p90 -63.62 137.58 58.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.43 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -154.9 138.47 16.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.56 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' CB ' ' NZ ' ' A' ' 37' ' ' LYS . 2.9 ttmp? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.783 0.325 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 m -79.81 -36.75 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.536 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.3 154.82 23.96 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.596 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.1 m -146.79 121.64 9.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.438 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 9.3 mp -101.02 109.95 21.91 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 9.4 mp -93.47 119.75 32.92 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.278 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.9 m -51.07 169.15 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.599 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.556 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -86.67 -24.0 25.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -74.94 27.48 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.979 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' A' ' 44' ' ' ALA . 33.0 mt -126.69 145.57 50.53 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 121.384 0.611 . . . . 0.0 110.986 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.1 p -130.28 133.49 46.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.635 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.451 ' O ' ' O ' ' A' ' 65' ' ' LYS . 19.5 mm -86.48 135.08 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.792 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -134.75 130.97 37.01 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.0 -108.14 3.44 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.96 118.78 0.86 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.09 149.54 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.595 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.59 149.37 52.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.77 64.85 0.08 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -42.31 118.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.657 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 139.6 -166.53 25.55 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -79.41 113.38 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.395 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.2 tp -118.02 107.56 14.18 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.623 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' A' ' 61' ' ' ASP . 1.1 tm0? -98.52 118.24 34.77 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.7 tt -127.92 130.56 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.18 0.514 . . . . 0.0 111.487 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -119.19 48.71 1.44 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.07 -159.42 8.13 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.194 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.4 p -106.71 125.73 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.519 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -100.18 117.77 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.014 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.3 tppt? -124.65 91.04 3.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.312 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.64 -140.78 9.21 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 11.8 t0 -110.53 152.44 26.38 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.751 0.31 . . . . 0.0 110.683 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.519 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 56.8 t -144.03 126.05 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -126.56 114.25 17.85 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 71' ' ' GLY . 53.9 t -155.99 162.09 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.888 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.496 ' N ' ' CG1' ' A' ' 70' ' ' VAL . . . -60.56 -56.02 26.69 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 91' ' ' GLU . 33.0 ttt180 -130.23 141.43 50.63 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 tt -129.08 113.34 15.01 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.892 0.377 . . . . 0.0 110.993 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.521 ' CG2' ' HE ' ' A' ' 72' ' ' ARG . 20.2 p -110.12 121.01 44.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.815 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.09 112.5 20.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.144 0.497 . . . . 0.0 110.943 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -51.92 -161.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.702 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.909 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -84.92 -20.2 31.06 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.167 -0.517 . . . . 0.0 112.362 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 89.2 m -66.95 -26.05 66.64 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.281 -179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.21 38.62 78.34 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-O 118.801 -1.0 . . . . 0.0 114.869 176.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -115.16 113.98 24.68 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.236 1.518 . . . . 0.0 110.059 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.4 t -147.79 111.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.023 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -136.02 108.22 7.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.888 0.375 . . . . 0.0 110.288 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.1 -155.44 26.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 t -99.48 115.9 30.36 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 t -104.33 131.35 53.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.033 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -132.29 117.6 18.39 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.915 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.98 170.71 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.8 -36.67 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.078 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.22 138.8 50.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.482 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 t -140.91 125.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.173 0.511 . . . . 0.0 111.551 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' OE1' ' NH2' ' A' ' 72' ' ' ARG . 68.3 mt-10 -123.48 106.45 10.63 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -88.81 139.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.203 0.525 . . . . 0.0 111.89 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -135.91 19.22 3.25 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.525 ' N ' ' OG ' ' A' ' 111' ' ' SER . . . -160.87 -151.7 6.32 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.233 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' GLY . 26.6 mtm180 -107.63 133.35 52.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 122.102 0.953 . . . . 0.0 113.169 -177.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.26 113.86 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 114.209 -1.359 . . . . 0.0 109.472 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 13.1 m -128.7 126.81 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.949 0.404 . . . . 0.0 110.743 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.9 -94.55 0.15 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.4 137.6 9.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.2 pt -143.85 140.36 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.087 0.47 . . . . 0.0 111.546 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.3 m -132.91 127.0 33.37 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.136 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.416 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 21.3 m -164.87 170.83 14.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.825 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -82.26 -47.73 12.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -126.12 137.77 53.63 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.578 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.06 137.7 46.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.061 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -136.43 107.25 6.62 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.894 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -81.4 96.75 7.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.168 0.509 . . . . 0.0 111.128 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.486 ' O ' ' O ' ' A' ' 92' ' ' VAL . 19.1 m-85 -93.47 162.77 13.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.184 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.652 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 67.17 174.53 6.86 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.338 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.4 p -70.23 27.76 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.303 0.573 . . . . 0.0 109.638 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.652 ' H ' ' C ' ' A' ' 109' ' ' GLY . 32.0 m -53.27 160.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.687 -177.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -130.64 150.97 51.59 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.987 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 62.0 t -141.99 118.8 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -134.68 107.55 7.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.08 -159.03 30.72 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -92.88 117.7 30.32 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.69 142.68 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.333 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.547 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 8.7 m -149.66 112.43 4.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.628 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.547 ' ND1' ' O ' ' A' ' 118' ' ' THR . 52.8 m-70 -154.68 174.24 15.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.063 0.459 . . . . 0.0 111.056 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.447 ' OE2' ' CD1' ' A' ' 137' ' ' PHE . 36.1 mm-40 -99.45 -25.66 14.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.242 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -137.93 123.38 19.57 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.071 0.462 . . . . 0.0 110.61 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 122' ' ' LEU . 2.7 mm? -105.48 147.7 28.01 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.0 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -150.65 118.86 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.395 . . . . 0.0 110.429 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.2 mmm -106.43 124.45 49.62 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -113.45 164.27 13.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.364 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.7 m -43.23 128.89 4.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.436 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 89.82 9.4 66.17 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.52 116.85 24.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.472 . . . . 0.0 111.076 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -128.14 105.64 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -128.58 108.8 10.81 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 111.937 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -127.67 98.86 5.35 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.25 178.63 34.42 Favored Glycine 0 C--N 1.319 -0.373 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.0 108.69 14.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 t -89.95 131.63 35.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.634 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 92.5 mt -114.52 118.45 33.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.622 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -85.77 106.17 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.257 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.447 ' CD1' ' OE2' ' A' ' 120' ' ' GLU . 28.5 t80 -79.92 124.21 28.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.525 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -137.29 -173.45 3.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 39' ' ' ALA . 45.8 mtmt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.839 0.352 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 57' ' ' GLU . 17.1 t 57.55 -78.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.529 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 37' ' ' LYS . . . -98.35 82.39 2.89 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.241 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.92 154.32 29.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.589 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.6 tp -126.21 110.14 13.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 3.8 mm? -97.16 131.96 43.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.287 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -66.28 -164.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.521 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -86.38 -22.87 26.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.54 28.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -114.49 122.28 46.09 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.249 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.5 m -130.61 122.49 27.55 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.258 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' A' ' 65' ' ' LYS . 32.0 mm -86.65 133.08 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.788 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -135.46 125.38 25.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.313 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.0 -108.95 3.73 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.41 120.2 0.95 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -108.65 151.01 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 120.818 0.342 . . . . 0.0 110.296 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.8 143.6 50.32 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.584 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.43 -172.14 40.84 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -147.16 157.2 43.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 110.268 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.03 -165.65 15.29 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 38' ' ' VAL . 52.6 tt0 -96.03 121.67 38.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 110.734 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.414 ' C ' ' CD1' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -117.2 107.63 14.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.525 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.559 HE22 ' CA ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -92.46 101.93 14.38 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.4 tt -112.08 135.37 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.41 0.624 . . . . 0.0 112.12 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -123.13 55.74 1.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.094 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -144.84 -158.98 7.85 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.497 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 t -105.61 119.61 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.335 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 65.7 t -103.7 112.75 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 48' ' ' ILE . 49.4 mtpt -124.52 110.71 14.82 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.13 -157.8 22.63 Favored Glycine 0 N--CA 1.466 0.657 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 9.1 t0 -92.15 149.82 21.27 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.408 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 86.3 t -143.4 132.13 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.055 0.455 . . . . 0.0 111.074 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -128.46 110.95 12.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.008 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.459 ' CG1' ' H ' ' A' ' 71' ' ' GLY . 40.6 t -149.13 170.67 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.683 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.459 ' H ' ' CG1' ' A' ' 70' ' ' VAL . . . -86.05 -45.14 5.75 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -133.19 122.86 24.61 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.0 tp -120.32 116.91 26.46 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.999 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.1 m -111.76 121.38 44.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.821 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.3 t -83.21 108.29 15.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.069 0.461 . . . . 0.0 110.852 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.559 ' CA ' HE22 ' A' ' 59' ' ' GLN . . . -51.11 -163.55 0.01 OUTLIER Glycine 0 CA--C 1.525 0.686 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.775 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -85.38 -18.15 34.58 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 77.2 m -66.93 -26.19 66.73 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 119.347 -0.941 . . . . 0.0 108.868 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.56 37.38 67.17 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 114.832 -1.076 . . . . 0.0 114.779 175.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -113.98 112.78 23.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.173 1.486 . . . . 0.0 110.102 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.7 t -148.87 112.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.67 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -134.82 107.89 7.64 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.15 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.27 -155.32 26.4 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 t -111.35 123.53 50.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.51 141.01 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.208 0.527 . . . . 0.0 111.066 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -128.26 117.62 21.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.529 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.98 176.82 12.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.99 0.424 . . . . 0.0 110.829 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -94.92 -53.29 3.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.81 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.03 135.46 47.6 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.27 143.58 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.786 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -120.74 112.67 19.14 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.217 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -86.66 135.52 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.126 0.489 . . . . 0.0 111.808 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -135.58 18.85 3.32 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.516 ' N ' ' OG ' ' A' ' 111' ' ' SER . . . -160.51 -152.45 6.57 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.58 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' GLY . 64.3 mtp180 -107.43 132.36 53.28 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.232 1.015 . . . . 0.0 113.114 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.45 123.34 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 114.091 -1.413 . . . . 0.0 109.374 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.96 124.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.78 -91.52 0.12 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.46 124.2 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.392 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.9 tt -121.15 136.88 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.072 0.463 . . . . 0.0 110.832 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.8 m -133.61 110.52 9.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.192 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m -156.53 164.07 38.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.053 0.454 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -86.43 -29.07 23.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -138.82 130.68 27.83 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -148.25 141.63 18.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.164 0.507 . . . . 0.0 111.108 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -135.69 128.56 31.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.562 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 6.9 mp -88.5 95.02 10.06 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.704 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.483 ' O ' ' O ' ' A' ' 92' ' ' VAL . 23.0 m-85 -93.7 162.04 14.1 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.853 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.643 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 62.97 176.57 3.3 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.605 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -70.81 28.02 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.643 ' H ' ' C ' ' A' ' 109' ' ' GLY . 53.2 m -57.33 169.93 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.629 -177.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 4.1 t80 -144.8 144.56 31.22 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.016 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.64 116.97 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.827 0.346 . . . . 0.0 110.354 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -133.72 114.82 13.86 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.73 -160.37 29.27 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -84.37 102.41 12.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.696 0.284 . . . . 0.0 110.248 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 80.5 mt -93.81 142.92 12.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.135 0.493 . . . . 0.0 110.973 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.1 m -140.86 106.05 5.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.464 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -155.31 145.55 21.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.395 0.617 . . . . 0.0 111.699 -179.53 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.42 -26.4 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.142 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -127.29 124.46 38.83 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.428 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.72 149.8 32.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.025 0.441 . . . . 0.0 111.545 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -144.16 138.01 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.648 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.54 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -104.76 127.34 52.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.964 0.411 . . . . 0.0 110.76 -179.252 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.62 149.85 33.97 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.783 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.8 m -40.49 116.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 116.11 4.77 18.14 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.64 28.25 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.747 0.308 . . . . 0.0 111.311 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.537 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 43.0 m-85 -130.17 102.81 6.39 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.532 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 8.8 p90 -132.81 130.01 39.28 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -128.36 100.44 5.81 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 175.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.81 177.2 33.04 Favored Glycine 0 C--N 1.32 -0.331 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -81.42 108.12 14.76 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.1 m -89.51 111.07 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.467 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 32.0 mt -96.53 113.47 25.04 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.641 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -91.79 133.38 35.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 139' ' ' ARG . 18.5 t80 -68.05 117.05 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.153 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 53.12 -91.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.327 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 137' ' ' PHE . 5.4 ptp85 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.511 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 pttp . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.913 0.387 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 t -79.02 -64.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.467 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.71 126.35 54.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.493 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.2 t -106.82 151.57 25.01 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.465 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -142.51 108.77 5.26 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.278 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 8.9 mp -102.51 134.78 45.28 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.402 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.3 m -73.97 -165.11 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.54 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -79.33 -41.95 26.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.982 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -72.94 29.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.54 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -111.5 127.85 55.83 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.064 0.459 . . . . 0.0 110.46 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.66 108.89 11.5 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.974 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.2 mm -101.45 146.94 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.81 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' GLY . 86.9 mt-10 -99.95 100.6 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.419 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -36.29 99.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 67' ' ' ASP . . . -178.87 18.71 0.03 OUTLIER Glycine 0 CA--C 1.518 0.25 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.66 148.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.506 -0.347 . . . . 0.0 110.784 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.5 p -139.68 113.56 8.73 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.36 -165.97 15.47 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -151.29 100.16 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.13 -164.09 36.52 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -88.26 114.87 25.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.772 0.32 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.09 107.66 15.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.747 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.541 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -105.96 102.09 11.54 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.193 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' GLY . 13.8 tt -109.6 135.52 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.215 0.531 . . . . 0.0 112.031 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' CG ' HE22 ' A' ' 59' ' ' GLN . 0.7 OUTLIER -126.76 56.59 1.48 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.266 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.17 -159.02 8.61 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.421 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.8 t -106.47 113.22 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 115.09 -0.555 . . . . 0.0 109.931 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.94 119.59 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.942 0.401 . . . . 0.0 110.563 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' GLY . 5.6 mtmp? -125.71 135.12 51.74 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.347 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.61 -132.5 8.23 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.431 -0.667 . . . . 0.0 111.431 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 51' ' ' GLY . 9.1 t70 -111.45 125.03 53.45 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.095 0.474 . . . . 0.0 111.436 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.9 t -123.23 123.99 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.403 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -127.64 122.14 32.3 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.526 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.451 ' CG2' ' N ' ' A' ' 71' ' ' GLY . 14.6 p -162.96 168.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.483 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.451 ' N ' ' CG2' ' A' ' 70' ' ' VAL . . . -67.23 -48.7 57.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.465 HH21 ' NH2' ' A' ' 106' ' ' ARG . 73.2 ttt180 -138.23 123.46 19.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.746 0.308 . . . . 0.0 110.337 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -111.81 109.93 20.01 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.681 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.6 m -102.78 123.58 46.71 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.864 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.03 104.45 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.06 0.457 . . . . 0.0 109.999 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -51.39 -158.29 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 CA-C-N 114.936 -1.029 . . . . 0.0 113.09 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -84.48 -22.62 30.2 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.486 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 99.2 m -66.96 -26.46 66.83 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.256 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.16 37.8 65.16 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-O 118.832 -0.982 . . . . 0.0 114.23 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.486 ' ND1' ' O ' ' A' ' 78' ' ' THR . 12.6 m80 -113.94 113.11 24.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.269 1.535 . . . . 0.0 110.544 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.83 111.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.15 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -138.66 106.84 5.75 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.941 0.4 . . . . 0.0 110.417 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.97 -155.05 26.09 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.5 p -93.56 129.3 39.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 t -123.68 137.81 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.112 0.482 . . . . 0.0 111.17 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -137.12 130.98 32.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.748 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -171.87 170.9 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.027 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.92 -43.51 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.75 136.69 49.94 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.347 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.17 120.98 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 111.68 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -111.23 107.47 16.79 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.474 ' O ' ' O ' ' A' ' 108' ' ' TYR . 16.9 t -92.22 133.93 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.233 0.54 . . . . 0.0 112.44 -178.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -137.21 19.6 2.97 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.709 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.51 -151.32 6.1 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.919 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 68.9 mtp180 -108.18 134.25 51.29 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 122.12 0.962 . . . . 0.0 113.08 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.42 126.23 28.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.556 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 16.1 m -138.84 122.66 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.665 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.09 -98.05 0.17 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.0 137.91 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 pt -141.72 144.95 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.975 0.417 . . . . 0.0 111.056 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.0 m -133.02 122.53 24.32 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.127 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 m -158.83 171.79 19.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.332 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.504 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 1.0 OUTLIER -83.09 -48.08 10.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.73 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -125.44 130.36 51.68 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.601 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.85 128.73 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.465 ' NH2' HH21 ' A' ' 72' ' ' ARG . 45.7 mtm-85 -127.05 117.2 21.98 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.576 ' CD2' ' N ' ' A' ' 107' ' ' LEU . 1.4 mm? -90.75 95.23 10.03 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.166 0.508 . . . . 0.0 111.222 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' A' ' 92' ' ' VAL . 37.5 m-85 -95.11 162.1 13.85 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.583 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.633 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 58.72 -164.12 9.3 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.308 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.1 p -67.1 32.42 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.141 -0.529 . . . . 0.0 110.184 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.633 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.3 p -44.78 142.65 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.3 0.571 . . . . 0.0 111.455 -177.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -143.97 119.88 10.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.496 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.34 120.8 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.926 0.394 . . . . 0.0 110.488 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -132.7 102.84 5.83 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.476 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.14 -159.87 28.58 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -85.44 115.36 23.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.696 0.284 . . . . 0.0 110.556 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.3 tt -116.55 127.73 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.616 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.5 m -119.63 132.43 55.7 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.222 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.54 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -174.04 154.51 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.475 ' OE2' ' N ' ' A' ' 120' ' ' GLU . 1.8 mp0 -88.09 -51.23 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.259 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -117.18 133.3 56.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.003 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.09 148.68 32.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.461 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -136.95 132.75 34.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.56 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.3 OUTLIER -105.44 131.76 52.45 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.985 0.421 . . . . 0.0 111.092 -179.361 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -117.35 162.88 17.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.138 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.5 t -45.91 140.42 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.97 7.26 68.45 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.85 116.22 28.72 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.603 0.239 . . . . 0.0 111.53 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -129.87 102.5 6.33 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 9.2 p90 -132.81 115.51 15.38 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -114.39 100.1 8.07 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 175.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.89 177.03 34.0 Favored Glycine 0 C--N 1.322 -0.22 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -82.11 109.41 16.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 87.7 p -94.05 109.58 21.33 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.392 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.479 ' N ' ' CD2' ' A' ' 135' ' ' LEU . 3.7 mm? -102.82 114.85 29.45 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.166 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -111.76 118.22 34.99 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.909 0.385 . . . . 0.0 110.727 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 138' ' ' GLN . 57.7 m-85 -97.78 112.37 24.3 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.583 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 137' ' ' PHE . 96.6 mm-40 53.7 105.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.623 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.465 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 90.0 mttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.821 0.343 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -45.03 130.07 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.461 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.22 122.62 20.67 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 m -115.53 151.22 35.27 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.659 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -120.39 109.01 14.82 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.287 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 3.7 mm? -100.36 107.07 18.75 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.955 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' LEU . 21.7 m -49.5 -178.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.551 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.59 -27.82 19.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.041 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.44 12.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.368 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.551 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -102.32 137.51 40.47 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.234 0.54 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 p -130.26 120.29 24.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.816 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.4 135.16 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 110.398 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -134.26 139.56 45.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.588 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.85 -74.01 2.54 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.0 133.19 1.85 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.7 m -126.84 145.51 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 120.803 0.335 . . . . 0.0 110.403 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.1 p -102.38 167.12 10.17 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.49 -160.91 29.66 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -168.59 151.07 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.498 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.6 -163.1 18.66 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -85.72 121.74 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 tp -114.29 107.39 15.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.516 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.75 111.66 23.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 76' ' ' GLY . 13.8 tt -130.44 139.32 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.112 0.482 . . . . 0.0 111.713 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' OG1' ' A' ' 78' ' ' THR . 28.7 p-10 -128.3 53.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.49 -157.93 7.57 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.506 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t -105.51 115.58 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.208 -0.496 . . . . 0.0 109.849 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.98 111.46 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.218 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -124.99 110.53 14.32 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.834 0.349 . . . . 0.0 110.693 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.26 -170.81 23.69 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -89.7 111.81 22.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.815 0.34 . . . . 0.0 110.229 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.5 t -109.76 136.13 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 120.96 0.41 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -128.31 127.67 43.16 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.284 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -167.27 166.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.408 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.12 -69.81 1.2 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -121.81 119.51 31.89 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.241 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tt -101.26 117.71 35.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 p -110.89 117.09 32.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.218 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.76 111.92 20.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -52.31 -161.54 0.01 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.182 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 5.5 mp0 -85.24 -24.34 27.84 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 21.2 p -66.32 -25.07 66.66 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.703 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 57.01 38.79 87.61 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-O 118.595 -1.114 . . . . 0.0 115.03 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -109.44 112.0 23.86 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.565 1.683 . . . . 0.0 110.075 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.5 t -149.36 111.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.205 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.07 107.29 5.76 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.697 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.94 -155.2 26.27 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -92.13 133.45 35.76 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -129.72 134.62 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 121.133 0.492 . . . . 0.0 111.363 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -137.23 129.94 30.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.5 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -170.46 172.25 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.384 -0.527 . . . . 0.0 111.144 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -89.19 -39.61 13.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.117 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.36 143.72 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.449 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 t -144.62 116.67 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.091 0.472 . . . . 0.0 111.376 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -116.99 107.1 14.14 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.391 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' A' ' 108' ' ' TYR . 52.6 t -89.4 139.49 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.258 0.552 . . . . 0.0 112.022 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -135.93 19.94 3.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.77 -151.83 6.29 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.551 -177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 74.9 mtt180 -107.74 135.36 49.29 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 122.089 0.947 . . . . 0.0 112.817 -177.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.63 132.55 41.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.71 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.58 116.09 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 110.776 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.84 -101.52 0.19 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -154.79 148.89 25.87 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.1 tt -147.29 134.03 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.169 0.509 . . . . 0.0 111.291 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.5 m -133.93 120.55 20.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.597 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 72.7 m -161.32 173.94 14.26 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.033 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.51 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 1.1 mptp? -84.79 -38.52 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.203 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -126.84 135.45 51.01 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.4 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.2 t -141.98 128.73 19.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.733 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.458 ' NH2' ' OH ' ' A' ' 108' ' ' TYR . 37.1 mtp180 -134.44 125.68 27.96 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.861 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.464 ' CG ' ' HG ' ' A' ' 111' ' ' SER . 8.6 mp -94.81 95.68 8.85 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.068 0.461 . . . . 0.0 111.26 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 92' ' ' VAL . 31.7 m-85 -94.22 161.78 14.12 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.1 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.642 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 59.44 -162.6 13.91 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.259 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 t -67.94 32.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.099 -0.551 . . . . 0.0 109.821 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.642 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.5 t -44.94 133.02 6.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.478 0.656 . . . . 0.0 112.003 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -133.66 126.92 31.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.836 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.0 t -133.81 122.87 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.994 0.426 . . . . 0.0 110.908 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -133.56 102.78 5.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.456 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.21 -150.01 20.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -86.01 122.61 30.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.519 ' C ' ' HG1' ' A' ' 118' ' ' THR . 0.6 OUTLIER -108.19 136.66 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.646 179.672 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.519 ' HG1' ' C ' ' A' ' 117' ' ' ILE . 3.9 m -148.58 112.35 5.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.559 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -160.74 154.3 22.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 20.7 mp0 -91.6 -27.87 17.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.951 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -133.01 124.84 28.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.626 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.72 149.55 50.64 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.055 0.455 . . . . 0.0 111.132 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -141.9 124.02 15.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.7 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.612 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.7 mmt -105.36 118.81 37.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 111.023 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -109.41 153.11 24.45 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.903 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.11 128.92 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.728 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 104.03 -0.02 44.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.18 116.02 28.48 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 111.253 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -129.68 104.22 7.3 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.612 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 5.2 p90 -130.7 112.42 13.09 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -112.02 101.14 9.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.46 176.95 32.88 Favored Glycine 0 C--N 1.319 -0.391 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -81.39 108.3 14.88 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 m -88.85 115.76 26.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.878 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 23.1 mt -96.96 109.47 22.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.21 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -84.11 134.51 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 137' ' ' PHE . 23.5 p90 -55.84 111.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.363 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -165.15 -32.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.591 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.523 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 tptp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.749 0.309 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 m -46.83 -30.64 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.04 130.09 44.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -128.94 121.95 29.16 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.53 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.3 109.15 20.95 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 33.0 mt -107.14 117.55 34.36 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.496 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.3 p -49.09 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.766 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.39 -25.98 21.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.699 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -73.06 29.67 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.376 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' A' ' 44' ' ' ALA . 39.7 tp -121.78 138.92 54.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.209 0.528 . . . . 0.0 110.755 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.8 m -130.97 121.97 26.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.263 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.41 HD13 HG23 ' A' ' 48' ' ' ILE . 17.3 mm -87.26 136.81 22.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.799 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -135.29 139.97 44.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.31 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.79 -100.3 2.65 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.45 116.6 0.71 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.6 p -109.6 148.01 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.778 0.323 . . . . 0.0 110.386 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.24 111.73 15.57 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.37 -157.71 33.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -169.14 112.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.45 -140.62 15.15 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -81.78 114.78 20.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.842 0.353 . . . . 0.0 110.951 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 tp -105.19 107.24 18.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.027 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -99.05 106.43 18.66 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 76' ' ' GLY . 9.4 tt -131.96 139.3 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.176 0.512 . . . . 0.0 111.49 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' OG1' ' A' ' 78' ' ' THR . 16.7 p-10 -126.73 50.37 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.17 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.17 -160.12 8.36 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.2 p -106.39 116.36 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.202 0.525 . . . . 0.0 110.209 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.19 119.8 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.208 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -124.08 138.22 54.47 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.449 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.96 -154.73 16.43 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -90.3 128.12 36.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.781 0.324 . . . . 0.0 110.331 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -116.9 123.92 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.296 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -128.33 122.95 32.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.611 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 p -167.7 167.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.455 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.83 -69.64 1.36 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -112.89 119.22 37.23 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 tp -100.86 129.57 46.75 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.599 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.9 m -126.38 108.42 11.21 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.99 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.2 112.68 21.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.347 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -50.6 -161.52 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 CA-C-N 114.912 -1.04 . . . . 0.0 112.935 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -84.78 -23.8 29.03 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.435 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 31.8 p -67.04 -25.82 66.45 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.832 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.62 39.49 85.77 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-O 118.586 -1.119 . . . . 0.0 114.957 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 78' ' ' THR . 52.3 m80 -106.29 113.96 27.8 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.559 1.679 . . . . 0.0 110.473 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.2 t -148.43 110.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.051 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.06 107.0 7.96 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.46 -155.33 26.36 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -112.45 137.71 50.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.64 146.16 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.178 0.513 . . . . 0.0 111.185 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 26.7 m-85 -135.29 117.8 15.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.453 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -153.03 176.63 11.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.006 0.432 . . . . 0.0 111.123 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 3.1 mm-40 -93.2 -41.93 9.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.204 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.69 137.31 50.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.547 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.67 132.66 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.14 0.495 . . . . 0.0 111.673 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -131.77 112.34 12.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.119 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' A' ' 108' ' ' TYR . 61.8 t -101.18 141.87 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.327 0.584 . . . . 0.0 112.55 -178.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -135.48 20.35 3.36 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.29 -151.45 6.13 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.745 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.458 ' O ' ' O ' ' A' ' 79' ' ' GLY . 19.2 mtt-85 -107.86 136.64 47.23 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 122.272 1.034 . . . . 0.0 113.324 -177.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.02 129.29 32.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.146 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.6 p -138.11 108.35 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.46 -102.81 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.3 145.18 21.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.723 0.297 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.415 HD11 HG23 ' A' ' 100' ' ' ILE . 4.2 tt -140.6 140.25 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.074 0.464 . . . . 0.0 111.236 -179.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.1 m -133.82 108.84 8.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.956 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.7 m -153.89 165.59 35.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.026 0.441 . . . . 0.0 111.21 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.488 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.0 mptt -72.46 -57.37 4.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.294 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -125.77 134.56 51.69 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.081 0.467 . . . . 0.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.0 m -131.5 148.14 32.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.263 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 mtp85 -137.41 115.3 11.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.922 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.5 mp -83.41 94.57 8.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.048 0.452 . . . . 0.0 110.333 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 92' ' ' VAL . 2.8 m-85 -94.43 161.51 14.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.224 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.62 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.77 -158.93 5.95 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.177 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -66.97 32.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.127 -0.537 . . . . 0.0 110.308 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.62 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.8 t -45.21 129.67 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.267 0.556 . . . . 0.0 111.698 -177.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -133.33 110.73 10.26 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.311 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.42 120.78 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -133.19 107.12 7.98 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.372 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.57 -155.38 26.1 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -86.47 121.39 28.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.678 0.275 . . . . 0.0 110.581 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 87.2 mt -114.61 141.98 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 110.626 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.1 m -135.84 109.42 7.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.346 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.477 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -156.8 154.75 30.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.145 0.498 . . . . 0.0 111.613 -179.154 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 120' ' ' GLU . 9.7 mp0 -97.02 -37.77 10.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.63 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -122.21 130.55 53.3 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.644 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.31 131.18 27.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.005 0.431 . . . . 0.0 111.115 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -119.88 126.14 50.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.472 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.609 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.9 mmt -104.58 113.61 27.3 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.941 0.401 . . . . 0.0 110.875 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -102.28 153.44 19.98 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.054 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 71.6 m -42.63 123.78 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 106.95 7.41 33.36 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.83 115.53 28.14 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.696 0.284 . . . . 0.0 111.491 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -130.68 103.57 6.68 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.609 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 3.9 p90 -132.45 114.95 14.93 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -115.26 100.47 8.16 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.26 175.65 33.89 Favored Glycine 0 C--N 1.321 -0.295 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.73 108.72 16.3 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.8 t -92.81 130.49 38.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.064 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 34.3 mt -101.27 115.42 30.46 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.412 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -95.46 125.51 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -69.57 125.2 25.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.475 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 61.74 146.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.401 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' NZ ' ' CB ' ' A' ' 37' ' ' LYS . 8.8 mtmp? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 m -43.73 -28.79 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.696 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.14 108.24 20.34 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.427 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.4 p -112.39 126.77 55.65 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 10.1 mp -99.26 124.24 44.18 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.452 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.63 119.73 35.88 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.927 0.394 . . . . 0.0 110.361 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 m -53.68 -172.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.616 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.24 -29.89 18.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -68.52 10.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.545 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.6 mm? -95.14 131.42 41.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.095 0.474 . . . . 0.0 110.577 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 121.59 22.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.022 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.566 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.5 mp -86.56 133.03 30.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.986 0.422 . . . . 0.0 110.451 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -127.96 125.94 40.48 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.12 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.98 -86.1 1.08 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.05 120.33 0.88 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.28 132.83 39.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.909 0.385 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.8 p -103.28 144.02 31.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.74 -177.89 36.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -170.62 72.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 110.509 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.62 -163.63 36.36 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -73.88 113.55 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.216 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.9 tp -108.75 107.67 18.2 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.47 103.39 13.76 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.0 tt -123.55 131.16 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.182 0.515 . . . . 0.0 111.768 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.461 ' O ' ' OG1' ' A' ' 78' ' ' THR . 2.2 p-10 -116.42 48.46 1.27 Allowed 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -137.99 -159.87 8.3 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.08 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 1.9 m -105.68 124.84 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.202 0.525 . . . . 0.0 110.818 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.7 t -105.95 115.7 48.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 48' ' ' ILE . 17.5 mtpp -123.86 123.35 40.26 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.41 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.17 -149.44 18.69 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -90.27 159.11 16.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.781 0.324 . . . . 0.0 110.371 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.16 124.05 10.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -128.23 118.42 23.27 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.529 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 p -167.39 167.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.6 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -76.14 -66.04 1.92 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -116.09 119.97 37.55 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 tt -105.84 117.73 34.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.014 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.4 m -112.61 116.65 30.52 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.3 t -83.04 111.74 19.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.721 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -49.54 -162.07 0.01 OUTLIER Glycine 0 CA--C 1.526 0.77 0 CA-C-N 114.783 -1.099 . . . . 0.0 113.431 -178.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -84.6 -26.16 28.11 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 32.1 m -67.0 -25.59 66.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.916 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.5 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.53 38.6 81.58 Favored Glycine 0 C--O 1.223 -0.58 0 CA-C-O 118.667 -1.074 . . . . 0.0 114.185 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -108.64 113.65 26.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.651 1.725 . . . . 0.0 110.073 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.7 t -146.95 113.54 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.477 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -138.27 108.79 6.55 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.566 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.74 -157.36 28.58 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -102.41 115.96 31.64 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 t -100.64 138.56 24.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.998 0.428 . . . . 0.0 111.279 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -136.57 117.91 14.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.614 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.63 178.32 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.3 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -85.71 -56.01 3.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.681 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.86 148.77 51.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.916 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.9 123.7 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.245 0.545 . . . . 0.0 111.399 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.42 107.34 17.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.297 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 108' ' ' TYR . 40.8 t -86.07 139.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.327 0.584 . . . . 0.0 112.282 -178.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -134.48 19.93 3.63 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.48 -154.91 7.46 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.671 -178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' A' ' 79' ' ' GLY . 11.2 ptm180 -110.71 134.15 52.72 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.421 1.105 . . . . 0.0 113.546 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -126.34 127.89 70.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.246 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.5 t -133.34 114.32 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.805 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.76 -95.61 0.14 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.72 147.2 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.709 0.29 . . . . 0.0 110.25 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.4 pt -144.56 143.11 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.979 0.419 . . . . 0.0 111.283 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 m -133.28 117.58 17.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.874 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.0 m -157.48 177.26 11.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.238 0.542 . . . . 0.0 111.599 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.529 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 3.0 mptp? -86.61 -27.94 23.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.522 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -154.17 136.32 14.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.974 0.416 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 105' ' ' VAL . 3.3 m -133.05 120.03 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.097 0.475 . . . . 0.0 110.877 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -108.41 111.06 22.76 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.708 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.6 mt -81.72 93.93 6.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.25 0.547 . . . . 0.0 111.134 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 20.0 m-85 -95.64 161.51 14.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.173 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.59 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.51 -159.72 5.26 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.52 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 t -65.7 32.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.816 -0.692 . . . . 0.0 110.96 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.59 ' H ' ' C ' ' A' ' 109' ' ' GLY . 12.9 t -44.9 128.24 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.324 0.583 . . . . 0.0 111.397 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -131.9 110.01 10.49 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.521 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.88 119.25 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -133.49 102.84 5.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.217 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.38 -154.96 25.95 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -90.72 129.59 36.8 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.852 0.358 . . . . 0.0 110.967 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.6 mt -119.31 143.26 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 54.5 m -145.23 102.93 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.1 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.461 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -149.97 168.43 23.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.662 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -102.72 -28.07 12.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.385 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -131.65 142.85 49.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.102 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.65 148.94 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.176 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.28 133.84 22.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.696 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.1 mtp -115.39 136.91 52.61 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 111.135 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -125.11 171.02 10.63 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.034 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.5 t -44.11 138.8 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.401 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.8 9.63 84.25 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.27 116.63 27.64 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.966 0.413 . . . . 0.0 110.889 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -128.74 110.86 12.55 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 130' ' ' PHE . 0.8 OUTLIER -130.37 109.0 10.41 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.739 -178.796 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -131.47 99.21 4.75 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.07 178.03 34.53 Favored Glycine 0 C--N 1.319 -0.412 0 N-CA-C 108.464 -1.855 . . . . 0.0 108.464 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -81.05 108.49 14.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 p -86.43 149.95 24.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.399 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 tt -117.73 115.02 24.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.847 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -81.23 125.08 29.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.001 0.429 . . . . 0.0 110.504 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.47 ' O ' ' CD2' ' A' ' 137' ' ' PHE . 44.4 p90 -62.45 122.78 16.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.578 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' A' ' 137' ' ' PHE . 45.9 mt-30 -59.46 -122.62 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.313 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 120.812 0.339 . . . . 0.0 110.401 179.81 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 pttm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.855 0.359 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.96 129.07 38.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.07 124.48 17.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -117.73 156.44 28.26 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 mt -139.63 108.72 6.05 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.431 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 8.6 mp -97.12 130.97 44.32 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.262 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -72.29 -164.54 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.46 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -80.08 -34.58 37.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -77.54 28.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.78 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -109.77 118.08 35.57 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.069 0.462 . . . . 0.0 110.091 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.62 121.61 35.2 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.115 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -86.39 144.74 8.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -136.26 140.2 43.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.54 -98.44 1.4 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.41 131.78 2.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.7 m -125.0 133.31 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.766 0.317 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -104.84 169.87 8.2 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.65 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.2 -163.58 20.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -170.76 71.46 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.61 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.8 -146.38 10.54 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -92.68 120.42 33.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.893 0.378 . . . . 0.0 110.539 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.4 tp -119.77 107.21 12.92 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.477 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -104.74 102.14 11.73 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.242 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.5 tt -111.27 137.21 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.254 0.549 . . . . 0.0 111.865 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.551 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -127.65 64.26 1.36 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.613 178.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.06 -158.87 9.05 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.426 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.56 120.14 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 121.174 0.511 . . . . 0.0 110.448 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.3 t -99.6 124.91 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.975 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -124.62 91.05 3.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.091 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.99 -148.32 20.01 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -107.7 155.63 19.97 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.893 0.377 . . . . 0.0 110.679 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.3 t -140.87 134.69 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.671 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -128.84 118.56 22.94 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.6 p -167.43 171.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.38 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.42 -64.32 2.53 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -113.95 135.81 53.59 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.773 0.32 . . . . 0.0 110.383 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.8 tp -136.4 121.9 19.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.328 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 51.7 m -126.98 123.33 36.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 75' ' ' VAL . 1.1 m -85.93 116.21 28.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.322 0.582 . . . . 0.0 110.56 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.46 -157.88 0.01 OUTLIER Glycine 0 CA--C 1.522 0.513 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.557 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -80.87 -14.84 57.65 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 14.4 p -67.5 -27.22 66.82 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.893 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.72 38.26 63.65 Favored Glycine 0 CA--C 1.521 0.437 0 CA-C-N 115.004 -0.998 . . . . 0.0 114.435 176.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -115.32 114.21 24.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.133 1.466 . . . . 0.0 110.363 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -147.25 114.86 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.457 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.66 107.66 7.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.483 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.77 -155.99 27.03 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.7 p -103.97 115.89 31.27 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 t -98.09 120.61 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.09 0.471 . . . . 0.0 111.354 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -120.39 117.13 26.92 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.624 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.32 178.47 8.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.465 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -94.3 -40.22 10.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.01 138.34 24.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.933 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.01 143.95 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.176 0.512 . . . . 0.0 112.002 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -117.21 118.17 31.57 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.189 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.9 t -96.88 130.56 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.434 ' H ' HG22 ' A' ' 75' ' ' VAL . 94.8 mtt180 -131.19 20.23 4.87 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.79 -150.52 5.87 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.972 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 79' ' ' GLY . 56.4 ttp85 -106.95 129.26 54.79 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 122.027 0.918 . . . . 0.0 112.754 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.7 p -135.85 130.73 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.241 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 27.9 m -139.38 130.75 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.409 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.19 -94.92 0.16 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.32 150.77 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 tt -147.38 132.25 10.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.96 0.41 . . . . 0.0 110.564 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.6 m -133.25 112.31 11.57 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.093 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.6 p -158.72 -179.42 8.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 111.253 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -81.91 -55.53 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.61 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -130.18 143.52 50.83 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.958 0.409 . . . . 0.0 110.736 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -148.8 124.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.995 0.426 . . . . 0.0 110.667 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -109.47 134.84 51.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.832 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 107' ' ' LEU . 10.8 mp -96.38 94.0 7.17 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.823 0.344 . . . . 0.0 111.397 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.489 ' O ' ' OG ' ' A' ' 111' ' ' SER . 27.2 m-85 -96.04 161.14 14.11 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.674 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.583 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 53.63 -153.89 7.92 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.537 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.7 m -65.09 31.88 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 114.882 -0.659 . . . . 0.0 110.85 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.583 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.5 m -45.33 132.34 7.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.997 0.427 . . . . 0.0 110.552 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -146.95 112.1 5.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.312 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 1.9 t -115.71 122.77 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.979 0.419 . . . . 0.0 110.761 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -133.65 111.11 10.35 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.586 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.08 -152.83 24.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -85.8 121.64 28.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 91.6 mt -115.44 142.44 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.137 0.494 . . . . 0.0 110.978 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.0 m -142.42 95.2 2.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.779 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.528 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -136.57 142.72 43.39 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.687 -179.268 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -78.0 -51.52 10.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.771 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -122.03 129.08 52.13 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.492 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.1 148.64 48.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.117 0.484 . . . . 0.0 110.973 -178.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.41 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -134.81 121.93 21.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.501 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.607 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -104.98 128.9 53.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.979 0.418 . . . . 0.0 110.997 -179.195 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -121.99 156.47 33.38 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.773 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 121.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.797 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 109.12 4.88 30.94 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.79 115.45 28.07 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.688 0.28 . . . . 0.0 111.278 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -130.95 103.27 6.45 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 6.0 p90 -131.1 116.45 17.76 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -122.8 100.0 6.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.4 176.24 33.83 Favored Glycine 0 C--N 1.321 -0.294 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 108.29 15.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.2 m -93.52 129.98 39.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.569 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 16.3 mt -95.59 126.76 41.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -84.52 140.26 31.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.501 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -68.72 141.01 55.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 58.86 98.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.61 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.554 -179.837 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 12.2 mptt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.771 0.32 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.0 t -69.08 -31.29 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.277 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 57' ' ' GLU . . . -156.15 163.09 40.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.45 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.9 m -158.15 144.67 17.52 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.967 0.413 . . . . 0.0 111.138 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mp -103.28 120.51 40.9 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.34 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 43' ' ' SER . 10.6 mp -98.17 110.71 23.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' LEU . 9.8 m -48.75 179.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.965 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.567 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.09 -31.17 18.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.796 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.28 29.72 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.567 ' H ' ' C ' ' A' ' 44' ' ' ALA . 50.6 mt -120.83 139.01 53.75 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.387 0.613 . . . . 0.0 111.262 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.439 ' OG1' ' OE2' ' A' ' 49' ' ' GLU . 4.5 p -132.09 122.99 26.28 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.721 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.7 mm -86.69 137.71 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.852 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 26.8 mp0 -135.41 140.46 44.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.26 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' O ' ' OD1' ' A' ' 67' ' ' ASP . . . 78.62 -82.18 1.32 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.92 138.6 2.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -144.63 148.86 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 110.653 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -109.73 170.97 7.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.122 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.64 -46.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 60.27 87.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.512 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.63 -178.99 32.8 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 81.2 tt0 -93.78 114.65 26.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.755 0.312 . . . . 0.0 110.326 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.92 148.5 48.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.455 0.645 . . . . 0.0 111.206 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 60' ' ' ILE . 4.3 tp-100 -113.03 115.89 29.06 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.74 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.517 ' N ' ' OE1' ' A' ' 59' ' ' GLN . 13.2 tt -115.0 128.85 72.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.414 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' C ' ' OG1' ' A' ' 78' ' ' THR . 35.5 p-10 -117.0 49.63 1.16 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.08 -159.23 8.06 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.52 116.58 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.034 0.445 . . . . 0.0 110.323 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.6 t -103.76 115.33 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -124.85 130.85 53.2 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.421 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.57 -169.41 12.91 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.391 -0.683 . . . . 0.0 111.391 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 1.7 p-10 -91.64 108.75 20.12 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.839 0.352 . . . . 0.0 110.51 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.1 p -112.6 142.97 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.515 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -127.7 134.15 49.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.358 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.3 p -167.28 168.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.816 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.36 -68.41 1.48 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -112.86 119.09 36.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.978 0.418 . . . . 0.0 109.932 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 tp -113.18 126.24 55.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.766 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.432 ' O ' ' OE1' ' A' ' 59' ' ' GLN . 4.0 m -122.89 117.0 24.57 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.4 t -83.47 111.04 19.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.602 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.34 -160.08 0.01 OUTLIER Glycine 0 CA--C 1.527 0.826 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.346 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -84.73 -23.24 29.38 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 34.9 p -66.7 -25.4 66.52 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.657 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.1 39.17 79.54 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 118.715 -1.047 . . . . 0.0 114.417 176.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.68 113.28 26.45 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.4 1.6 . . . . 0.0 110.535 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -148.96 110.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.94 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.27 107.43 5.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.023 0.439 . . . . 0.0 110.378 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.96 -155.59 26.58 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.3 m -100.66 123.63 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.47 121.49 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.15 0.5 . . . . 0.0 110.963 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 10.2 m-85 -113.98 123.63 50.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.728 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.443 ' O ' ' OG ' ' A' ' 102' ' ' SER . . . -157.56 160.74 38.47 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.366 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -83.2 -44.38 15.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.117 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.93 138.08 43.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.685 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.4 p -145.55 145.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.177 0.513 . . . . 0.0 111.403 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -133.94 109.8 9.27 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.482 ' O ' ' O ' ' A' ' 108' ' ' TYR . 67.0 t -88.92 142.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.288 0.566 . . . . 0.0 112.314 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -137.1 20.23 2.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.32 -151.18 6.05 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.424 -177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -107.63 136.68 46.98 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 122.122 0.963 . . . . 0.0 113.055 -177.588 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.0 p -141.33 125.36 16.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.954 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.0 m -138.9 130.18 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.44 -95.99 0.16 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.27 138.76 11.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 110.486 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 tt -141.41 138.81 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.016 0.436 . . . . 0.0 110.853 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.8 m -133.32 109.46 9.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.792 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 87' ' ' ALA . 30.1 t -146.62 164.37 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.15 0.5 . . . . 0.0 111.268 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -86.89 -35.01 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.502 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -132.96 121.82 23.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.267 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.0 t -126.29 144.15 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -141.49 107.77 5.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.799 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.6 mt -81.19 95.16 6.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.988 0.423 . . . . 0.0 111.139 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 92' ' ' VAL . 3.7 m-85 -94.32 163.01 13.61 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.681 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.594 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 52.6 -160.87 2.68 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.081 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 t -65.2 32.23 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.088 0.555 . . . . 0.0 111.134 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.594 ' H ' ' C ' ' A' ' 109' ' ' GLY . 10.7 t -45.12 130.79 7.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.272 0.558 . . . . 0.0 111.735 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -131.48 109.83 10.57 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.658 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -109.86 116.74 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.629 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -133.68 102.65 5.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.1 -148.67 18.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -90.67 115.14 27.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.81 0.338 . . . . 0.0 110.545 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.427 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 0.5 OUTLIER -98.43 142.56 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.029 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.7 m -149.69 119.19 6.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.107 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -177.84 157.8 1.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.954 0.406 . . . . 0.0 110.946 -179.777 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.57 -34.33 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.169 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -121.45 126.08 48.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.118 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.24 143.33 47.74 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.436 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -135.96 132.21 36.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.175 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.6 mtp -112.47 117.24 31.84 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.142 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -105.31 161.1 14.59 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.983 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.7 t -40.56 135.56 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.7 0.286 . . . . 0.0 110.62 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 86.6 9.34 75.41 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.56 118.39 27.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 111.333 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -127.01 112.79 15.65 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 130' ' ' PHE . 1.6 t80 -132.13 109.2 9.8 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.848 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.89 98.96 4.94 Favored 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.43 177.22 35.18 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -81.9 108.86 15.75 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.2 p -88.8 127.5 35.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.875 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.5 mp -96.24 124.8 40.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.178 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -82.62 143.65 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.757 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -97.45 154.78 17.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.31 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -158.01 140.65 14.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.643 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.786 0.327 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.26 115.58 5.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.663 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.37 88.46 3.11 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.2 t -78.29 148.29 33.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.382 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tt -126.94 108.76 11.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.228 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.77 124.34 48.72 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.9 p -60.44 -178.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.336 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.527 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.92 -20.74 24.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.655 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -75.2 29.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.106 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.527 ' H ' ' C ' ' A' ' 44' ' ' ALA . 26.3 mt -125.78 142.87 51.3 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.435 0.636 . . . . 0.0 111.391 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.14 124.31 27.28 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.802 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.07 143.94 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.034 0.445 . . . . 0.0 111.02 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -134.51 140.32 46.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.499 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.99 -68.72 2.25 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.78 142.11 3.45 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -133.25 150.73 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.854 0.359 . . . . 0.0 110.507 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.45 150.67 34.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.406 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.66 80.16 0.1 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.07 110.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.678 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 144.39 -161.83 27.94 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -88.06 118.84 27.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.815 0.34 . . . . 0.0 110.214 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -115.24 107.46 15.31 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.359 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.91 115.4 30.52 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.7 tt -134.99 144.24 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.931 0.396 . . . . 0.0 111.397 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' O ' ' OG1' ' A' ' 78' ' ' THR . 30.1 p-10 -125.03 54.18 1.45 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.297 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.21 -160.42 8.3 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.19 112.14 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.508 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.452 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 1.3 m -106.7 122.3 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -124.63 118.7 27.1 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.348 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.88 -147.79 19.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -105.34 119.82 40.02 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.804 0.335 . . . . 0.0 110.32 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 t -110.1 129.8 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.439 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.1 ttp85 -127.55 110.97 13.25 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.365 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 71' ' ' GLY . 69.3 t -157.49 163.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.373 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.506 ' N ' ' CG1' ' A' ' 70' ' ' VAL . . . -70.89 -62.8 3.41 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.28 124.91 48.98 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.758 0.313 . . . . 0.0 110.217 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.36 116.18 30.53 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.68 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.2 m -112.01 109.1 18.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.967 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 t -83.56 123.92 39.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.244 0.545 . . . . 0.0 110.788 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.59 -157.95 0.18 Allowed Glycine 0 CA--C 1.525 0.661 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.339 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -83.66 -20.49 33.5 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 25.0 m -66.95 -26.87 67.04 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 119.138 -1.025 . . . . 0.0 108.685 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.13 38.61 67.33 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 118.773 -1.015 . . . . 0.0 114.584 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.09 113.58 26.21 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.316 1.558 . . . . 0.0 110.736 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -148.64 111.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.284 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -137.59 108.61 6.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.043 0.449 . . . . 0.0 110.553 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.37 -155.72 26.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.2 m -101.26 115.92 31.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.15 117.47 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 111.351 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -113.42 124.73 53.12 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.635 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.28 176.62 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.223 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.85 -45.87 10.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.104 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.13 147.46 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.719 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.7 m -145.58 120.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.461 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -106.63 106.24 16.67 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.1 m -93.86 146.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.491 0.662 . . . . 0.0 111.966 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -131.82 22.21 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.095 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.35 -151.27 5.96 Favored Glycine 0 CA--C 1.533 1.174 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.555 -177.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLY . 89.2 mtt180 -106.0 133.04 51.36 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.313 1.054 . . . . 0.0 113.709 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.3 t -123.53 108.48 21.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 113.858 -1.519 . . . . 0.0 109.176 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.41 107.63 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.871 0.367 . . . . 0.0 110.341 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.16 -106.13 0.28 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.6 145.56 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.552 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.3 pt -142.99 143.92 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.9 m -133.36 114.47 13.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.979 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -155.84 169.14 25.08 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.294 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -78.97 -35.08 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.14 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -131.64 143.74 50.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.124 0.488 . . . . 0.0 110.945 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 20.9 t -144.85 127.68 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -132.8 122.33 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.684 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.0 mp -93.08 96.11 9.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.358 0.599 . . . . 0.0 111.602 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -93.82 161.52 14.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.718 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.638 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.83 178.18 6.28 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.805 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.0 p -71.87 27.73 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.638 ' H ' ' C ' ' A' ' 109' ' ' GLY . 6.2 p -54.78 168.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.294 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 2.4 t80 -150.47 140.18 21.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.5 t -134.69 121.8 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 120.922 0.391 . . . . 0.0 110.468 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -133.42 104.21 6.31 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 164.2 -158.65 31.33 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -91.13 120.48 32.12 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.764 0.316 . . . . 0.0 110.623 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.2 mt -116.11 142.37 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 37.8 m -137.56 103.32 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.705 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.481 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -146.31 165.46 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.237 0.542 . . . . 0.0 111.167 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.494 ' CD ' ' N ' ' A' ' 120' ' ' GLU . 4.4 mp0 -100.28 -42.04 6.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.393 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -117.88 137.83 52.53 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.455 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.71 149.36 37.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.987 0.423 . . . . 0.0 111.067 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -140.37 147.61 40.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.876 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.508 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 17.3 mmt -129.22 118.8 22.95 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.779 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -108.99 157.61 18.5 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.167 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -43.66 116.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.479 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 115.81 2.1 20.83 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.39 114.65 27.24 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.633 -0.334 . . . . 0.0 111.15 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 65.2 m-85 -130.67 101.76 5.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.508 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 14.5 p90 -132.56 121.82 23.85 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -119.02 100.03 7.1 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.32 176.25 33.77 Favored Glycine 0 C--N 1.319 -0.415 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -82.49 108.16 15.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.6 t -96.29 119.12 34.2 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.547 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.9 mt -97.98 111.76 23.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.723 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -98.21 128.02 44.45 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.564 ' CG ' ' N ' ' A' ' 138' ' ' GLN . 60.8 t80 -75.18 167.39 22.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 137' ' ' PHE . 80.5 mm-40 -71.03 116.14 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.668 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.8 tttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.813 0.34 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 57' ' ' GLU . 2.8 t 55.62 44.82 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.27 78.91 2.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.215 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.77 153.02 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.241 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.1 tp -133.21 109.32 9.35 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.374 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 8.5 mp -98.58 118.13 34.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.306 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.4 p -54.72 179.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.799 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.533 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -84.34 -31.8 24.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.376 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.85 29.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.364 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.9 tp -131.18 142.3 50.18 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.555 0.693 . . . . 0.0 111.433 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -138.89 125.06 20.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.583 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.6 147.29 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.961 0.41 . . . . 0.0 110.708 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -133.8 140.31 46.84 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.534 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 67' ' ' ASP . . . 90.71 -106.13 3.33 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.45 113.32 0.56 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.6 p -93.72 136.72 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.755 0.312 . . . . 0.0 110.658 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.616 ' HG1' ' N ' ' A' ' 54' ' ' GLY . 2.2 t -103.15 165.34 11.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.616 ' N ' ' HG1' ' A' ' 53' ' ' THR . . . -173.56 -175.25 41.14 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -172.1 57.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.511 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.01 -140.99 4.22 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 38' ' ' VAL . 66.7 tt0 -94.57 113.15 24.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.039 0.447 . . . . 0.0 110.514 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.22 107.64 18.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.721 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -103.89 101.94 11.74 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 76' ' ' GLY . 10.8 tt -113.4 132.53 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.268 0.556 . . . . 0.0 111.736 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -124.91 51.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.736 178.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -143.32 -159.36 7.93 Favored Glycine 0 C--O 1.243 0.708 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.102 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 63' ' ' VAL . 1.7 m -106.37 122.27 59.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.041 0.448 . . . . 0.0 109.914 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 52.7 t -97.39 123.29 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -125.08 90.88 3.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.448 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.13 -140.81 9.1 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 7.3 p-10 -113.12 150.64 31.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.545 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.17 127.12 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.795 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -128.53 114.99 17.44 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.517 ' CG2' ' H ' ' A' ' 71' ' ' GLY . 12.5 p -167.33 175.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.546 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.517 ' H ' ' CG2' ' A' ' 70' ' ' VAL . . . -73.34 -69.12 1.44 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -112.56 138.26 49.59 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.4 tp -124.05 118.73 27.62 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.001 0.429 . . . . 0.0 110.696 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.518 ' H ' ' HG1' ' A' ' 74' ' ' THR . 1.0 OUTLIER -111.57 117.22 32.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.582 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.448 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.2 t -83.4 108.28 15.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.098 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -49.54 -163.92 0.01 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.036 -0.983 . . . . 0.0 113.348 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -84.85 -23.91 28.82 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.46 ' HG1' ' C ' ' A' ' 61' ' ' ASP . 46.0 p -66.47 -25.82 66.89 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 119.228 -0.989 . . . . 0.0 108.578 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.62 38.78 72.97 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 114.974 -1.012 . . . . 0.0 114.044 176.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -111.62 113.22 25.47 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.152 1.476 . . . . 0.0 110.374 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.8 t -147.71 115.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.7 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.86 107.58 6.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.371 . . . . 0.0 110.058 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.7 -155.72 26.76 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -96.93 145.93 25.44 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -137.25 114.8 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.015 0.436 . . . . 0.0 111.392 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -117.39 120.19 37.4 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.685 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.09 172.44 15.86 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.121 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -86.17 -37.72 18.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.12 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.45 149.75 34.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.603 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.6 132.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.147 0.499 . . . . 0.0 111.787 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -112.9 128.89 56.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.935 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.9 t -109.32 138.31 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 121.151 0.501 . . . . 0.0 112.001 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -137.85 19.75 2.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.59 -152.13 6.39 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.805 -177.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 83.1 mtt180 -108.67 136.27 48.54 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 122.141 0.972 . . . . 0.0 113.255 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 p -136.45 122.24 28.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.641 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.66 114.33 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.936 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.47 -101.13 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.48 141.5 5.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.646 0.26 . . . . 0.0 110.302 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.7 pt -142.42 146.18 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.986 0.422 . . . . 0.0 111.142 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.8 m -132.99 120.57 21.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.956 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -156.58 163.17 39.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.351 . . . . 0.0 111.138 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -85.49 -24.81 27.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -139.71 122.09 16.06 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.528 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.1 t -121.47 131.44 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.503 ' NH2' ' OH ' ' A' ' 108' ' ' TYR . 36.7 mtp180 -132.61 107.28 8.33 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.873 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.7 mt -88.32 96.29 10.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.109 0.48 . . . . 0.0 111.621 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.506 ' O ' ' O ' ' A' ' 92' ' ' VAL . 54.1 m-85 -94.2 162.81 13.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.527 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.633 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 59.47 -165.04 10.59 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.254 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 m -68.46 31.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.104 -0.548 . . . . 0.0 109.909 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.633 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.5 p -45.61 138.31 4.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.387 0.613 . . . . 0.0 111.627 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.546 ' HH ' ' CG ' ' A' ' 114' ' ' ASP . 64.1 t80 -136.69 128.45 29.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.864 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.94 118.2 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.032 0.444 . . . . 0.0 110.904 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.546 ' CG ' ' HH ' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -133.39 106.44 7.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.297 179.775 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.78 -144.57 9.88 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -101.86 102.73 13.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.777 0.323 . . . . 0.0 110.494 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.3 tt -108.12 134.06 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.378 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 78.7 m -133.14 135.88 45.45 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.445 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.52 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -172.01 166.89 6.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.983 0.421 . . . . 0.0 110.861 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -97.43 -34.87 10.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.193 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -128.08 124.54 37.27 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.985 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.63 148.94 47.61 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.043 0.449 . . . . 0.0 110.481 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.79 118.92 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.762 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.4 OUTLIER -105.62 137.17 43.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.597 -179.562 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -124.32 158.93 31.44 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.261 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.5 t -40.83 125.72 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.72 4.39 39.67 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.68 116.4 28.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.734 0.302 . . . . 0.0 111.628 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 23.5 m-85 -129.6 102.51 6.4 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 9.3 p90 -132.31 119.56 20.93 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -178.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -120.71 100.14 6.94 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.56 176.87 33.78 Favored Glycine 0 C--N 1.321 -0.279 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -82.19 109.3 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.4 t -89.22 117.91 28.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.816 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.8 mt -100.75 108.94 20.9 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -95.4 139.81 31.17 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.798 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -93.56 122.29 35.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.186 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -172.01 150.11 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.492 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 52.8 mtm-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.662 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.845 0.355 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' A' ' 39' ' ' ALA . 7.2 p -164.63 160.28 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.677 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.423 ' N ' ' CG2' ' A' ' 38' ' ' VAL . . . -127.56 138.01 52.76 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.06 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 p -144.19 150.31 37.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.96 126.57 41.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 mt -107.02 124.26 49.38 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 p -61.23 -167.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.53 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.79 -26.84 21.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.001 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -74.83 26.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.347 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.53 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.0 mm? -112.35 132.76 54.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.208 0.528 . . . . 0.0 110.5 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.02 120.99 19.8 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.094 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.568 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.5 mp -86.45 135.43 25.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.975 0.417 . . . . 0.0 110.476 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -135.59 130.22 34.12 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.055 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.57 -70.29 2.16 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.33 135.98 2.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.1 p -137.52 144.07 32.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.1 p -102.77 108.04 19.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.932 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.35 -151.93 19.55 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -172.38 144.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.871 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.65 -146.48 50.35 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -82.82 121.41 26.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.857 0.36 . . . . 0.0 110.692 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.8 tp -120.49 107.65 13.13 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.535 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? -94.42 122.06 36.61 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' GLY . 10.0 tt -135.4 130.96 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.174 0.512 . . . . 0.0 111.559 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.452 ' O ' ' OG1' ' A' ' 78' ' ' THR . 3.3 p30 -120.47 49.62 1.42 Allowed 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.13 -157.89 7.61 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.714 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 2.8 m -105.29 124.2 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.155 -0.523 . . . . 0.0 109.925 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.7 t -111.93 110.21 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.75 0.309 . . . . 0.0 111.423 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 48' ' ' ILE . 33.7 mtmt -125.18 106.59 10.01 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.424 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.29 -163.84 28.39 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -101.26 106.41 17.6 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.4 p -111.7 142.62 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.016 0.436 . . . . 0.0 111.173 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -128.4 136.04 50.35 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.204 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -167.69 171.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.573 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.84 -69.39 1.4 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.5 mtt85 -114.29 118.84 35.04 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.5 tp -104.32 131.73 51.34 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.047 0.451 . . . . 0.0 110.847 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -124.5 113.53 18.23 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.578 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.7 t -83.19 107.31 14.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.523 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.44 -160.66 0.01 OUTLIER Glycine 0 CA--C 1.526 0.738 0 CA-C-N 114.94 -1.027 . . . . 0.0 113.013 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -84.87 -20.62 30.53 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 89.2 m -66.66 -26.38 67.02 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 119.199 -1.0 . . . . 0.0 109.013 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.11 37.99 65.32 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.104 -0.953 . . . . 0.0 114.244 176.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -111.92 112.9 24.88 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.075 1.438 . . . . 0.0 110.285 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -149.14 110.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.098 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -137.0 106.97 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.16 -154.59 25.67 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 m -105.8 121.59 44.35 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.959 0.409 . . . . 0.0 110.2 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.6 p -122.32 130.06 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -121.25 133.08 55.14 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.929 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.92 167.52 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.467 ' N ' ' OE2' ' A' ' 88' ' ' GLU . 1.5 mm-40 -86.68 -41.52 14.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.095 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.34 143.12 39.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.675 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.63 138.36 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.186 0.517 . . . . 0.0 111.77 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -117.83 129.52 55.71 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.103 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.464 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -107.38 137.72 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.15 0.5 . . . . 0.0 111.852 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -136.2 19.7 3.19 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . -160.35 -152.06 6.42 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.543 -178.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 79' ' ' GLY . 70.5 mtp180 -107.58 135.63 48.71 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.113 0.959 . . . . 0.0 113.36 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.37 125.54 27.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.299 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.44 125.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.999 0.428 . . . . 0.0 111.067 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.75 -93.21 0.13 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.68 126.02 2.9 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.642 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 pp -126.73 142.08 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.225 0.535 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.3 m -133.81 118.13 17.66 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.211 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -164.52 147.42 8.89 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.958 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -74.51 -17.84 60.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.588 ' NE2' ' N ' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -145.06 123.9 12.67 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.779 -179.642 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.588 ' N ' ' NE2' ' A' ' 104' ' ' GLN . 2.8 m -140.53 137.82 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.962 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -128.15 118.03 22.65 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.97 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 9.1 mp -87.56 94.91 9.85 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.239 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 92' ' ' VAL . 9.6 m-85 -94.85 162.01 13.93 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.11 178.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.636 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 66.23 175.04 6.02 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.958 178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.0 p -70.68 28.27 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.636 ' H ' ' C ' ' A' ' 109' ' ' GLY . 9.1 t -59.67 170.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.74 -177.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 5.3 t80 -146.73 142.67 28.05 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.451 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -130.76 121.73 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 120.986 0.422 . . . . 0.0 110.532 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -133.84 122.51 23.33 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.68 -157.08 27.15 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -90.05 123.56 34.03 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 73.5 mt -118.39 126.3 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.108 0.48 . . . . 0.0 111.288 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.5 m -122.78 99.44 6.39 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.24 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -140.07 153.56 46.8 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 111.237 -178.789 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.43 -37.86 10.74 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.767 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -132.13 131.14 42.01 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.886 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.22 149.64 44.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.146 0.498 . . . . 0.0 111.331 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -131.27 132.79 44.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.447 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.478 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 24.2 mmt -108.95 122.06 46.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.988 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -113.39 150.14 33.1 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.985 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.6 t -39.51 135.18 1.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.83 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.77 1.7 58.67 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.63 115.4 28.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.688 0.28 . . . . 0.0 111.039 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . 0.551 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 42.9 m-85 -129.92 103.28 6.69 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.478 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 28.1 p90 -132.1 125.62 31.79 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -126.46 100.39 6.23 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 176.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.66 176.67 33.13 Favored Glycine 0 C--N 1.318 -0.445 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -82.08 108.31 15.46 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.0 t -95.45 125.3 39.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.643 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.8 mt -103.37 109.64 21.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.469 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -94.59 109.15 21.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.667 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -48.54 118.88 2.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.473 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 43.79 -120.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.416 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.429 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.801 0.334 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.7 p -158.21 -17.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.64 115.71 4.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -111.94 157.79 20.25 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.671 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.74 134.94 34.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.222 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.66 135.46 53.91 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.8 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.3 m -64.39 -163.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.047 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.561 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.47 -41.2 13.7 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.191 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.7 OUTLIER -71.89 29.74 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.704 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.561 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -113.42 128.43 56.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.336 0.588 . . . . 0.0 110.926 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.0 p -128.38 108.19 10.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.085 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.1 mm -96.06 146.87 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.112 0.482 . . . . 0.0 111.128 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' GLY . 50.9 mt-10 -102.4 94.49 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.474 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -35.01 108.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 67' ' ' ASP . . . 173.45 13.59 0.02 OUTLIER Glycine 0 CA--C 1.519 0.313 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 m -104.45 151.4 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.27 -0.465 . . . . 0.0 110.827 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.7 m -135.34 136.47 41.55 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . 165.57 105.6 0.19 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 54' ' ' GLY . 37.5 mt-10 -51.53 -170.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.792 0.33 . . . . 0.0 111.026 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.95 175.06 39.55 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.49 129.0 34.82 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.984 0.421 . . . . 0.0 110.564 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 tp -134.49 108.25 8.01 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -97.95 134.81 40.55 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.0 tt -135.71 126.62 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.473 . . . . 0.0 111.306 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -113.49 46.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.19 -160.2 8.59 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.1 p -107.49 126.71 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 115.637 -0.281 . . . . 0.0 110.664 -179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.3 p -135.74 122.29 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 120.895 0.379 . . . . 0.0 111.21 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 50' ' ' GLY . 52.0 pttt -127.04 144.08 51.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.286 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 84' ' ' SER . . . 126.06 -135.68 9.22 Favored Glycine 0 N--CA 1.47 0.9 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 51' ' ' GLY . 18.9 t0 -113.52 113.04 24.57 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.125 0.488 . . . . 0.0 110.855 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.6 t -117.0 128.07 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.668 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.7 ttm-85 -127.14 126.03 42.21 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.915 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 71' ' ' GLY . 14.8 p -162.89 169.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.134 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.471 ' N ' ' CG2' ' A' ' 70' ' ' VAL . . . -73.14 -72.04 1.02 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -114.67 120.51 40.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.242 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 tp -104.3 129.6 52.15 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.982 0.42 . . . . 0.0 110.729 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.0 m -123.52 112.68 17.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.547 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -82.63 108.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.248 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.8 -159.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 CA-C-N 114.881 -1.054 . . . . 0.0 113.147 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -84.85 -23.95 28.79 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 51.5 m -66.89 -26.31 66.81 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.169 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.0 39.07 78.12 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-O 118.675 -1.07 . . . . 0.0 114.925 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 78' ' ' THR . 5.8 m80 -111.28 112.96 25.1 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.439 1.62 . . . . 0.0 110.46 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -148.57 110.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.778 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 65' ' ' LYS . 26.0 tt0 -138.17 107.09 5.97 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.056 0.455 . . . . 0.0 110.464 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.16 -155.23 26.3 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 109.849 -1.301 . . . . 0.0 109.849 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 66' ' ' GLY . 3.1 m -104.34 129.99 52.2 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.8 p -138.64 146.49 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.09 0.471 . . . . 0.0 111.326 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -136.1 128.99 31.17 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.937 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.463 ' O ' ' OG ' ' A' ' 102' ' ' SER . . . -158.94 140.1 12.99 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.833 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 88' ' ' GLU . 1.2 mm-40 -54.89 -50.44 68.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.222 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.05 146.95 52.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.987 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -153.1 135.29 6.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.13 0.49 . . . . 0.0 111.616 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -119.82 114.96 22.9 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.139 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -88.97 136.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.124 0.488 . . . . 0.0 112.072 -178.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -135.01 19.29 3.45 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . -160.12 -152.65 6.61 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.406 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 79' ' ' GLY . 60.7 mtp180 -108.04 134.6 50.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 122.188 0.994 . . . . 0.0 113.083 -177.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 p -139.74 119.52 13.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.422 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.6 m -134.9 127.09 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.778 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.17 -87.54 0.14 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -166.31 130.79 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.309 . . . . 0.0 110.399 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.47 143.23 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.1 0.476 . . . . 0.0 110.807 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.2 m -132.93 129.67 38.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.112 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 87' ' ' ALA . 17.2 t -154.77 158.63 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.617 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 2.0 mptp? -80.36 -34.08 36.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.288 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -143.88 133.12 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.865 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.52 149.33 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.072 0.463 . . . . 0.0 111.256 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -140.58 115.79 9.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.425 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.491 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 7.6 mp -77.81 96.87 5.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.024 0.44 . . . . 0.0 111.438 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 13.6 m-85 -93.1 161.35 14.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.215 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.612 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 67.59 176.3 9.26 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.573 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 m -73.26 28.02 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.612 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.0 t -54.84 162.78 1.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.984 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -134.7 150.86 50.65 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.317 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.41 115.54 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.841 0.353 . . . . 0.0 110.428 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -133.93 106.73 7.42 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.948 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.64 -168.94 34.97 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.76 115.44 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.0 tt -117.81 140.45 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.058 0.456 . . . . 0.0 110.944 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.3 m -136.81 122.06 19.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.685 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.566 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -158.98 167.74 28.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 111.109 -179.188 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.541 ' OE1' ' CG ' ' A' ' 137' ' ' PHE . 9.5 mm-40 -94.3 -44.5 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.174 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -126.11 128.06 46.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.463 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.47 147.63 50.68 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.16 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.22 153.63 49.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.138 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.405 ' O ' ' OE2' ' A' ' 125' ' ' GLU . 4.4 mtp -131.05 132.73 45.12 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.622 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 124' ' ' MET . 17.9 mm-40 -122.11 163.15 19.98 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.439 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.0 m -43.76 112.67 0.42 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.183 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 109.61 6.59 28.72 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.39 117.27 28.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.965 0.412 . . . . 0.0 110.779 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -127.89 114.45 17.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -132.16 108.68 9.43 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -128.52 98.57 5.07 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 175.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.87 178.06 34.34 Favored Glycine 0 C--N 1.317 -0.505 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -81.35 109.0 15.44 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 t -87.75 135.47 33.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.8 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.2 mt -114.45 109.1 17.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.133 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -83.77 128.44 34.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.569 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.541 ' CG ' ' OE1' ' A' ' 120' ' ' GLU . 66.6 t80 -64.81 166.47 8.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.779 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.453 ' N ' ' CG ' ' A' ' 137' ' ' PHE . 73.2 mt-30 -69.4 -123.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.362 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.713 0.292 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.62 -35.09 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.4 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -154.94 142.32 19.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.273 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t -150.65 159.28 44.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.793 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.02 108.67 6.6 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.444 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.4 mp -99.71 128.72 45.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.182 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 44' ' ' ALA . 47.0 t -65.69 -168.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.731 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.506 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -82.54 -28.66 30.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -69.46 10.17 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.507 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -102.86 130.1 49.77 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.509 0.671 . . . . 0.0 110.902 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.0 t -138.55 118.8 13.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.322 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.552 ' N ' ' CD1' ' A' ' 48' ' ' ILE . 1.4 mp -86.89 133.49 29.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -134.99 138.79 44.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.335 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.09 -86.65 1.39 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.81 120.93 0.89 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.21 132.31 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.96 0.41 . . . . 0.0 110.519 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 m -112.54 138.96 48.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.378 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.6 -164.08 30.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -170.01 123.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.03 -172.41 20.66 Favored Glycine 0 N--CA 1.464 0.566 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.7 112.94 13.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 0.0 110.275 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.3 tp -109.08 106.97 17.12 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -94.35 110.92 22.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 tt -128.52 125.51 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.359 0.599 . . . . 0.0 111.693 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.465 ' O ' ' OG1' ' A' ' 78' ' ' THR . 0.9 OUTLIER -110.08 52.47 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.21 -159.42 7.91 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.498 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.5 t -105.76 125.66 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.124 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.3 t -110.36 121.73 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 120.909 0.385 . . . . 0.0 111.184 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -124.53 144.16 50.27 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.613 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.89 -160.84 26.55 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -79.92 150.7 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.821 0.343 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 86' ' ' TYR . 2.4 t -132.84 108.9 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.824 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 77.8 mtm180 -107.4 110.36 22.32 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.206 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 71' ' ' GLY . 77.8 t -158.04 164.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.256 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.505 ' N ' ' CG1' ' A' ' 70' ' ' VAL . . . -75.22 -68.06 1.62 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mtm-85 -116.97 118.63 32.94 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.8 tp -102.81 122.65 44.93 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 110.844 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -115.11 115.78 27.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.574 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.8 t -82.6 108.81 15.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.973 0.416 . . . . 0.0 110.442 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -49.48 -161.1 0.01 OUTLIER Glycine 0 CA--C 1.527 0.842 0 CA-C-N 114.68 -1.145 . . . . 0.0 113.595 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -84.46 -23.31 29.99 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 67.3 m -67.03 -25.19 66.16 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.23 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.5 38.51 80.83 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-O 118.882 -0.955 . . . . 0.0 114.432 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -112.94 113.48 25.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.048 1.424 . . . . 0.0 110.231 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -147.59 112.91 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.311 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -136.96 108.56 6.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.531 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.71 -156.43 27.6 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 m -101.74 116.46 32.78 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.11 111.4 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.395 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 68' ' ' VAL . 58.2 m-85 -114.04 117.78 32.26 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.69 178.49 6.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.031 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -80.2 -56.37 4.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.545 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.54 145.1 49.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.856 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.403 ' O ' ' CG2' ' A' ' 90' ' ' VAL . 3.7 m -138.7 123.42 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 121.132 0.491 . . . . 0.0 111.197 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -104.69 118.02 35.54 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.431 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.505 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.5 t -98.12 138.78 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 111.803 -178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.8 mtm105 -137.05 19.48 3.0 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.11 -150.92 6.0 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.431 -177.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -106.87 134.23 50.33 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 122.279 1.037 . . . . 0.0 113.404 -177.421 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.9 t -123.24 122.44 65.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 113.854 -1.521 . . . . 0.0 109.011 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.3 107.67 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.825 0.345 . . . . 0.0 110.573 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 155.8 -103.35 0.23 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -157.41 144.51 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.443 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.34 135.8 15.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.675 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.4 m -133.34 131.66 40.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.208 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.2 m -165.11 158.03 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -70.33 -17.81 63.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -146.92 144.59 29.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.975 0.417 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.3 t -144.44 137.13 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.292 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -141.58 106.85 5.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.608 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mt -86.1 96.14 9.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.036 0.446 . . . . 0.0 111.706 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 92' ' ' VAL . 50.6 m-85 -94.02 163.02 13.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.552 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.635 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 63.04 -167.49 21.87 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.227 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.2 p -67.9 31.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.185 -0.507 . . . . 0.0 109.805 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.635 ' H ' ' C ' ' A' ' 109' ' ' GLY . 5.2 p -45.43 143.42 1.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.573 0.701 . . . . 0.0 112.032 -177.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -144.86 127.06 15.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.732 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.97 125.47 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 120.964 0.411 . . . . 0.0 111.032 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -132.96 105.21 6.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.5 -145.02 11.23 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.515 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -92.03 123.99 35.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.843 0.354 . . . . 0.0 110.631 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -116.7 139.46 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.83 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.2 m -148.37 136.37 20.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.951 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER 178.85 162.8 0.76 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.43 . . . . 0.0 110.788 -179.693 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -93.38 -36.54 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.694 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -128.38 139.57 52.31 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.583 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.53 149.62 28.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.088 0.47 . . . . 0.0 111.057 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.446 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -144.05 128.19 17.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.695 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -104.81 119.03 38.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.245 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.465 ' N ' ' OE1' ' A' ' 125' ' ' GLU . 22.0 mp0 -103.94 157.93 16.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.284 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 t -41.39 144.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.731 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.37 0.19 80.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.42 115.88 28.4 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.169 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -129.52 102.04 6.21 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.482 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 12.8 p90 -132.99 122.78 24.73 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.88 99.82 7.17 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.86 175.36 34.41 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -83.39 109.14 17.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.2 t -91.07 112.99 25.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.0 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.9 mt -98.73 111.41 23.8 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.414 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -111.5 102.55 10.89 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -93.12 135.5 34.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -151.3 63.05 0.89 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.618 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mttp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.889 0.375 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.15 -22.23 11.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.37 154.32 38.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.486 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.9 m -163.88 162.55 23.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.773 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.51 128.27 21.74 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.957 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 34.5 mt -100.31 136.95 39.41 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.3 m -63.95 -170.45 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.556 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.97 -25.63 23.07 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.015 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.98 16.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.682 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.556 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -109.08 130.33 55.48 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.324 0.583 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.53 114.45 14.89 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.02 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.5 mm -86.82 146.04 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -135.05 138.85 44.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.367 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.28 -67.6 3.59 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.41 137.11 2.73 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -129.72 151.43 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.456 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 p -107.62 110.11 21.91 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.777 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.22 -146.08 19.48 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -173.25 156.44 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 0.0 110.624 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.86 -147.29 29.86 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.93 135.39 34.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.456 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.419 ' C ' ' CD1' ' A' ' 58' ' ' LEU . 0.5 OUTLIER -142.12 108.16 5.2 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.556 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -97.53 101.93 13.57 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 12.1 tt -98.85 116.44 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.321 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' O ' ' OG1' ' A' ' 78' ' ' THR . 2.4 p30 -105.67 51.93 0.74 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.87 -159.79 8.47 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.5 112.01 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.059 0.457 . . . . 0.0 110.586 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.63 124.81 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.48 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -124.25 128.81 49.72 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.504 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.25 -159.57 16.83 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -89.83 128.49 36.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.813 0.34 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -116.88 126.56 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.559 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -123.59 118.9 28.38 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.466 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' A' ' 71' ' ' GLY . 14.2 p -167.28 169.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.679 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 70' ' ' VAL . . . -64.89 -77.41 0.25 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -114.84 118.77 34.46 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tt -109.28 125.64 52.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.686 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.8 p -127.58 124.77 38.94 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.648 0.261 . . . . 0.0 110.57 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 1.0 OUTLIER -83.35 114.96 24.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 121.29 0.567 . . . . 0.0 109.887 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.9 -158.04 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.978 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -77.17 -21.24 54.33 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.052 -0.574 . . . . 0.0 112.465 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 20.8 m -67.0 -27.11 67.16 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 119.451 -0.899 . . . . 0.0 108.84 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.85 37.03 61.03 Favored Glycine 0 CA--C 1.524 0.634 0 CA-C-O 118.674 -1.07 . . . . 0.0 114.606 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -110.3 112.64 24.73 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.643 1.722 . . . . 0.0 110.281 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -149.52 115.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.735 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -139.04 107.03 5.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.014 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.09 -155.31 26.39 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.471 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 10.4 t -102.0 119.01 38.1 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.67 123.54 57.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.956 0.407 . . . . 0.0 111.24 -179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.471 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 96.2 m-85 -121.79 118.03 28.02 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.872 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.07 167.88 17.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.784 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' OE1' ' A' ' 104' ' ' GLN . 5.6 mm-40 -80.21 -35.47 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.169 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.53 153.66 46.25 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.066 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.7 m -149.35 125.78 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.787 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -114.87 116.09 28.01 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.192 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.475 ' O ' ' O ' ' A' ' 108' ' ' TYR . 5.9 t -96.08 134.27 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.216 0.532 . . . . 0.0 112.426 -178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.453 ' H ' HG22 ' A' ' 75' ' ' VAL . 64.5 mtt-85 -136.97 18.97 3.0 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.03 -151.66 6.25 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.807 -177.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 74.5 mtp180 -107.69 134.46 50.64 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.938 0.875 . . . . 0.0 113.125 -177.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.4 p -138.13 130.45 39.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.31 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 5.7 p -138.12 115.34 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.008 0.432 . . . . 0.0 110.979 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.91 -87.31 0.11 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.69 144.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 pt -142.73 147.01 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 111.282 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.2 m -132.84 121.13 22.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.207 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 p -162.7 155.53 19.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.693 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -74.71 -31.99 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 88' ' ' GLU . 24.3 mp0 -125.99 132.89 51.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.337 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.44 135.03 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -138.14 111.48 8.01 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.773 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.3 93.88 9.27 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.338 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.475 ' O ' ' O ' ' A' ' 92' ' ' VAL . 32.3 m-85 -96.49 161.08 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.483 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.611 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 60.79 -162.7 21.04 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.286 178.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.4 p -67.57 32.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.041 -0.579 . . . . 0.0 110.31 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.611 ' H ' ' C ' ' A' ' 109' ' ' GLY . 15.3 t -45.14 129.29 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.281 0.562 . . . . 0.0 111.54 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -132.93 112.15 11.63 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.395 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.62 122.98 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.023 0.44 . . . . 0.0 110.425 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -132.72 107.93 8.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.3 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 151.07 -142.54 9.62 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.458 ' OD1' ' CD1' ' A' ' 135' ' ' LEU . 28.9 t0 -93.97 130.49 40.06 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.772 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.4 133.96 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.895 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.0 m -143.45 118.14 9.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.004 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -166.58 155.6 10.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.091 0.472 . . . . 0.0 110.953 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -87.34 -43.29 12.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.608 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -117.76 136.29 53.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.584 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.14 149.45 41.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.128 0.489 . . . . 0.0 110.833 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -144.96 121.08 10.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.762 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 124' ' ' MET . 1.1 mmt -104.87 134.85 47.3 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 110.817 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 36.7 mp0 -125.11 164.99 19.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.483 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.5 m -48.97 140.39 9.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.376 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 92.73 -0.03 69.74 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.37 116.0 28.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -129.52 103.56 6.95 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 130' ' ' PHE . 9.2 p90 -130.89 114.86 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.473 ' NE2' ' N ' ' A' ' 131' ' ' GLN . 3.2 mp0 -114.46 100.23 8.15 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.37 176.06 33.86 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -82.43 108.83 16.14 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 34.9 t -86.81 117.95 25.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.721 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.458 ' CD1' ' OD1' ' A' ' 116' ' ' ASP . 26.7 mt -95.54 109.74 21.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.343 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -83.62 144.92 29.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 137' ' ' PHE . 53.9 p90 -73.08 128.91 36.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.706 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -163.45 -42.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.4 m -57.13 -28.53 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.45 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.61 78.32 3.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.546 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.3 t -67.77 154.09 42.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.366 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 tp -140.68 111.99 7.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.58 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.3 mp -101.66 120.75 40.82 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.277 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -52.61 179.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.722 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.54 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.6 -34.98 17.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -72.79 30.89 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.54 ' H ' ' C ' ' A' ' 44' ' ' ALA . 5.5 tp -128.9 143.12 50.8 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.328 0.585 . . . . 0.0 111.106 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 t -133.68 135.83 44.34 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.011 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.56 145.24 7.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.17 0.509 . . . . 0.0 111.171 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -135.21 137.8 43.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.17 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 -109.11 2.97 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.04 123.53 1.31 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 m -106.24 149.99 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.771 0.32 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.6 t -142.72 145.8 33.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.497 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.0 97.53 0.11 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -55.93 139.5 46.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.716 0.294 . . . . 0.0 110.618 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.75 -163.35 23.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.15 116.47 29.06 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 tp -112.43 108.61 17.81 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.826 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.414 HE22 ' CA ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -100.71 102.21 13.26 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 76' ' ' GLY . 16.0 tt -109.91 135.07 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.096 0.474 . . . . 0.0 111.597 -178.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.527 ' CG ' ' HG1' ' A' ' 78' ' ' THR . 28.4 t70 -125.14 47.12 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -142.15 -158.83 7.69 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.288 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.1 p -106.34 138.33 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.287 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.76 125.16 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 120.868 0.366 . . . . 0.0 111.305 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -124.81 91.33 3.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.322 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.02 -155.93 26.74 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.29 155.68 17.38 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.795 0.331 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.5 t -137.85 136.63 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -127.99 119.42 25.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.185 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.488 ' CG2' ' H ' ' A' ' 71' ' ' GLY . 13.5 p -168.06 171.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.877 0.37 . . . . 0.0 111.111 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.488 ' H ' ' CG2' ' A' ' 70' ' ' VAL . . . -76.04 -66.67 1.82 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -114.67 122.78 47.51 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 tt -111.27 110.17 20.52 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.881 0.372 . . . . 0.0 110.611 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.2 m -103.94 118.88 37.72 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.285 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.5 t -83.77 106.68 14.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.209 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -50.29 -162.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 CA-C-N 115.151 -0.932 . . . . 0.0 113.011 -178.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.496 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -84.12 -19.52 34.07 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.445 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.527 ' HG1' ' CG ' ' A' ' 61' ' ' ASP . 62.8 m -67.17 -26.76 66.8 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.857 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.23 37.56 65.06 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 114.963 -1.017 . . . . 0.0 114.172 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -112.38 113.67 25.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.818 1.309 . . . . 0.0 109.784 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -147.58 117.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.548 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -137.85 108.33 6.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.114 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.28 -155.8 26.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.42 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 8.2 t -104.74 118.24 36.07 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.9 t -97.58 126.06 50.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.054 0.454 . . . . 0.0 110.977 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.42 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 72.8 m-85 -127.49 117.22 21.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.829 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' A' ' 102' ' ' SER . . . -164.56 178.41 7.38 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.798 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -91.62 -34.15 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.134 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.85 143.8 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.705 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -138.52 130.61 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.161 0.505 . . . . 0.0 111.452 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.467 ' CD ' HH21 ' A' ' 106' ' ' ARG . 20.5 mt-10 -115.43 106.39 13.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.273 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.509 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -88.39 135.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.439 . . . . 0.0 112.081 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.89 18.97 3.02 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.457 ' N ' ' HG ' ' A' ' 111' ' ' SER . . . -160.38 -153.26 6.86 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.74 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.3 mtp180 -108.59 139.7 43.0 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 -177.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.65 136.4 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.042 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.82 119.17 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.423 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.78 -99.61 0.19 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.89 148.25 15.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 pt -143.24 139.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.126 0.489 . . . . 0.0 111.256 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.6 m -133.2 117.36 17.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.579 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 87' ' ' ALA . 9.6 t -159.68 166.77 29.89 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.481 -179.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -73.65 -47.59 38.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.753 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -128.08 142.96 51.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.884 0.373 . . . . 0.0 110.806 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.5 m -133.46 120.59 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.169 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.467 HH21 ' CD ' ' A' ' 91' ' ' GLU . 56.8 mtm-85 -118.45 107.89 14.36 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.526 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.57 96.57 10.14 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.134 0.492 . . . . 0.0 111.445 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.509 ' O ' ' O ' ' A' ' 92' ' ' VAL . 27.2 m-85 -93.39 162.78 13.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.177 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.639 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.12 177.8 5.2 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 p -71.06 28.84 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.639 ' H ' ' C ' ' A' ' 109' ' ' GLY . 74.2 m -48.34 158.15 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.853 -177.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -140.27 132.67 28.44 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.558 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.46 124.11 24.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -134.9 116.69 15.03 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.667 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.95 -154.08 25.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.13 134.4 35.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.696 0.284 . . . . 0.0 110.408 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.41 142.26 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 120.968 0.414 . . . . 0.0 110.445 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 43.4 p -149.71 89.3 1.61 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.877 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.09 160.83 39.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.7 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 10.8 mp0 -100.73 -32.74 10.57 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.764 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -116.72 126.59 53.37 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.905 0.384 . . . . 0.0 110.274 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 122' ' ' LEU . 4.2 mm? -104.34 134.15 48.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.386 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.408 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -151.55 128.6 11.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.778 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.575 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -143.39 139.61 30.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.73 -179.441 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -120.78 172.87 7.58 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.013 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.3 m -42.43 122.89 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.622 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 105.24 9.57 33.62 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.45 116.97 27.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.041 0.448 . . . . 0.0 111.225 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.42 104.74 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 130' ' ' PHE . 1.2 t80 -131.62 109.03 9.93 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.018 0.437 . . . . 0.0 111.997 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -131.7 100.27 5.06 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.46 178.19 33.92 Favored Glycine 0 C--N 1.317 -0.477 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -80.54 108.31 14.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.4 p -97.44 124.74 41.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.185 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.4 mp -99.32 122.08 41.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.032 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -83.69 118.94 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.435 ' CD1' ' OE2' ' A' ' 120' ' ' GLU . 49.3 t80 -45.01 134.6 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -68.7 -169.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.715 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.692 179.78 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.732 0.301 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 42' ' ' LEU . 1.9 tt -141.86 110.91 6.28 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.581 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.525 ' N ' HD23 ' A' ' 41' ' ' LEU . 10.1 mp -100.05 113.17 25.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' HD12 ' A' ' 46' ' ' LEU . 70.1 m -52.16 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.36 -28.46 22.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -72.96 24.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.322 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 44' ' ' ALA . 45.4 mt -122.88 142.75 50.44 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.361 0.6 . . . . 0.0 111.026 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.29 135.03 38.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.4 mm -87.59 144.79 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.749 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.28 138.36 43.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.47 -95.12 0.51 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.41 141.29 6.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -135.66 145.78 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -109.79 169.34 8.78 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.466 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.32 -179.6 48.76 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -144.66 149.71 36.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.53 -155.25 27.97 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -88.88 134.0 34.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.961 0.41 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -119.08 107.23 13.24 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.551 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.426 HE22 HG22 ' A' ' 74' ' ' THR . 69.9 tp60 -92.36 113.75 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 60' ' ' ILE . 16.1 tt -129.38 127.84 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.173 0.511 . . . . 0.0 111.823 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 42' ' ' LEU . 10.3 p-10 -121.81 48.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.405 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -138.0 -159.63 8.21 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.402 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 m -106.35 134.87 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.333 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.67 120.33 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 120.921 0.391 . . . . 0.0 110.742 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.84 90.79 3.31 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.3 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.7 -139.65 8.4 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.91 158.86 17.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.5 t -145.75 130.61 12.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -128.73 121.88 29.42 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.881 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.622 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.3 p -167.73 173.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.058 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.622 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -78.96 -68.62 1.47 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.661 -0.975 . . . . 0.0 110.661 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -112.19 142.34 44.78 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 74' ' ' THR . 2.1 tt -135.14 114.17 12.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 111.418 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.575 ' N ' HD23 ' A' ' 73' ' ' LEU . 16.8 m -106.34 118.45 36.69 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.713 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.8 t -83.23 108.4 15.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.295 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.53 -161.52 0.01 OUTLIER Glycine 0 CA--C 1.526 0.753 0 CA-C-N 115.177 -0.92 . . . . 0.0 113.093 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -84.45 -20.83 31.14 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.4 m -66.86 -27.2 67.34 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.802 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.92 38.99 66.56 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-O 118.862 -0.965 . . . . 0.0 114.069 175.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -115.58 114.53 25.06 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.156 1.478 . . . . 0.0 110.89 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.88 113.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.396 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -131.64 107.94 9.17 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.347 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.79 -155.86 26.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -113.85 115.73 28.19 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.4 p -109.56 130.69 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.189 0.518 . . . . 0.0 111.282 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -121.01 118.08 28.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.488 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.22 176.65 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.76 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 88' ' ' GLU . 1.3 mm-40 -91.42 -36.43 13.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.734 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.72 144.81 25.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.1 m -147.1 140.78 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 121.169 0.509 . . . . 0.0 111.708 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -117.09 110.52 18.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.022 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -88.15 134.9 26.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.547 . . . . 0.0 112.032 -178.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -135.19 18.66 3.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.436 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -160.58 -154.11 7.23 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.121 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 59.8 mtt-85 -108.21 133.47 52.41 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.15 0.976 . . . . 0.0 113.36 -177.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.03 108.66 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.656 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.438 HG12 ' CB ' ' A' ' 114' ' ' ASP . 35.9 m -117.9 128.3 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.973 0.416 . . . . 0.0 110.839 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.34 -92.69 0.13 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.12 136.16 6.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 110.389 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 tt -131.47 139.58 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.2 m -133.42 106.56 7.55 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.75 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.0 m -162.14 139.29 8.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 0.0 110.689 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -68.58 -23.52 64.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -126.12 127.43 45.76 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.716 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -146.88 136.58 16.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.61 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -140.37 115.01 9.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.793 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 107' ' ' LEU . 10.7 mp -84.35 95.5 8.76 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 111.144 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 92' ' ' VAL . 20.0 m-85 -94.21 161.58 14.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.724 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.606 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.6 178.59 6.26 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.891 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.0 p -70.82 27.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.606 ' H ' ' C ' ' A' ' 109' ' ' GLY . 17.1 p -52.05 169.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.678 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.519 ' CD2' ' O ' ' A' ' 129' ' ' PHE . 6.6 t80 -149.43 145.93 27.19 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.231 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 t -138.76 125.67 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.928 0.394 . . . . 0.0 110.717 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.438 ' CB ' HG12 ' A' ' 97' ' ' VAL . 5.8 t0 -133.94 108.31 8.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.681 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.16 -159.89 29.71 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -88.37 117.29 27.19 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.4 mt -105.41 142.44 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.196 0.522 . . . . 0.0 110.888 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.3 m -144.47 102.12 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.587 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.461 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -147.44 143.81 28.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.02 0.438 . . . . 0.0 111.337 -179.247 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -82.5 -45.18 15.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.822 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -117.05 124.83 50.23 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.628 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -135.91 149.32 48.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.185 0.517 . . . . 0.0 111.182 -179.064 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -139.51 130.46 26.29 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.889 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.4 mmt -105.1 123.59 48.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -115.23 147.21 40.64 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.976 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -39.74 118.87 0.91 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.937 0.398 . . . . 0.0 110.839 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 116.08 3.99 18.99 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.66 115.04 27.72 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.828 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.519 ' O ' ' CD2' ' A' ' 112' ' ' TYR . 79.0 m-85 -130.37 102.41 6.17 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 18.4 p90 -132.61 123.3 26.16 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -120.42 99.73 6.74 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.53 176.36 33.9 Favored Glycine 0 C--N 1.319 -0.411 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -83.47 108.44 16.62 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.0 m -98.74 140.77 32.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.616 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.109 179.755 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.422 ' OG ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 42' ' ' LEU . 12.4 tp -137.81 110.06 7.36 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.837 0.351 . . . . 0.0 111.071 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 42' ' ' LEU . 9.6 mp -101.93 123.1 45.27 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.138 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 m -58.82 -172.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.53 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.84 -25.99 20.75 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.791 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.47 29.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.39 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.53 ' H ' ' C ' ' A' ' 44' ' ' ALA . 75.9 mt -126.04 128.46 47.45 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.318 0.58 . . . . 0.0 111.147 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.42 109.72 13.07 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.464 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.7 mt -86.15 136.8 22.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.037 0.446 . . . . 0.0 111.232 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -135.54 139.46 43.96 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.351 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.13 -110.91 4.0 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.33 101.86 0.21 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.46 147.87 4.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.51 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.9 p -123.01 151.24 42.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.457 ' H ' HH21 ' A' ' 69' ' ' ARG . . . -169.77 -177.93 40.53 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -143.54 -173.38 3.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.807 0.337 . . . . 0.0 110.483 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 53.99 -141.08 33.85 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -106.11 139.83 40.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.814 0.34 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.462 HD11 HD13 ' A' ' 42' ' ' LEU . 51.1 tp -132.57 110.47 10.49 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -95.76 103.14 15.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.703 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.4 tt -108.81 139.61 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.302 0.572 . . . . 0.0 111.645 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' OG1' ' A' ' 78' ' ' THR . 36.5 t70 -129.61 53.64 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.862 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -149.17 -159.81 8.79 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.86 136.98 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 110.568 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 64' ' ' VAL . 16.9 m -135.39 125.8 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 121.01 0.433 . . . . 0.0 110.852 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -124.57 110.25 14.22 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.77 -156.63 25.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.61 140.62 30.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.952 0.406 . . . . 0.0 110.245 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -128.09 112.28 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.505 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HE ' ' C ' ' A' ' 69' ' ' ARG . 1.2 tmm_? -112.32 116.0 29.67 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.44 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.581 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.4 p -165.04 169.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.522 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.581 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -71.43 -67.79 1.78 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -124.7 119.83 30.07 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.352 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.9 tp -103.61 121.87 43.81 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.67 118.25 34.51 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.622 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.51 109.13 16.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.051 0.453 . . . . 0.0 110.859 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.62 -157.5 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 CA-C-N 114.701 -1.136 . . . . 0.0 113.075 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 15.4 mt-10 -84.37 -23.59 30.06 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -178.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.444 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 7.4 p -66.98 -26.62 66.9 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 119.044 -1.062 . . . . 0.0 108.954 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.67 39.19 75.02 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.032 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 78' ' ' THR . 63.4 m80 -108.42 111.45 23.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.364 1.582 . . . . 0.0 110.766 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -149.6 112.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.768 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -138.97 106.76 5.64 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.202 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.87 -155.39 26.45 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.4 p -99.11 116.06 30.46 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.44 134.11 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.66 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -132.31 118.05 18.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.053 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.47 178.03 7.05 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.223 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -94.57 -42.3 8.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.531 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.01 139.16 51.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.47 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.98 111.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -105.59 107.51 18.54 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.471 HG12 ' H ' ' A' ' 94' ' ' GLY . 2.6 t -87.81 135.56 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.276 0.56 . . . . 0.0 112.336 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -135.98 20.27 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.471 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.0 -153.67 6.91 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.183 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 27.5 mtm180 -108.02 140.03 41.78 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.367 1.08 . . . . 0.0 113.716 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.26 128.19 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 114.025 -1.443 . . . . 0.0 108.973 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.8 m -138.94 116.16 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 111.347 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.97 -89.29 0.12 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -166.81 147.12 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.2 pt -146.49 141.91 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 111.098 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.8 m -132.89 118.5 19.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.852 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.1 m -158.58 164.48 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.185 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.522 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 11.0 mptt -75.89 -47.14 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.559 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -134.3 134.23 41.64 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.734 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.14 132.77 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -123.52 132.54 53.93 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.812 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 107' ' ' LEU . 8.9 mp -89.73 96.39 10.67 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.338 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 92' ' ' VAL . 16.4 m-85 -93.64 161.77 14.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.636 178.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.626 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 66.47 176.8 7.57 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.866 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -70.23 28.17 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.626 ' H ' ' C ' ' A' ' 109' ' ' GLY . 20.6 t -52.68 169.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.9 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.435 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 5.1 t80 -149.43 146.43 27.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.046 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.55 121.86 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 120.902 0.382 . . . . 0.0 110.674 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -133.32 108.75 8.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.67 -160.0 29.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.33 122.03 31.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.721 0.296 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.74 133.83 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.043 0.449 . . . . 0.0 110.704 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.6 m -131.03 97.14 4.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.514 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.477 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -144.89 161.66 38.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.999 0.428 . . . . 0.0 111.114 -178.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -99.43 -45.37 5.86 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.728 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -118.07 134.43 54.99 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.783 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.0 149.76 31.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 111.025 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.51 145.24 44.87 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.848 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.546 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 21.7 mmt -117.4 113.06 21.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -102.9 156.58 17.56 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.37 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 126' ' ' THR . 7.0 t -44.58 121.38 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 112.25 3.36 26.03 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.59 115.56 28.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.772 0.32 . . . . 0.0 111.366 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 48.5 m-85 -129.52 101.79 6.1 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.546 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 21.6 p90 -132.6 120.54 21.94 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -120.6 100.42 7.12 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.8 176.28 33.36 Favored Glycine 0 C--N 1.318 -0.431 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -82.48 108.8 16.16 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 25.1 t -85.26 146.79 26.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.01 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.465 ' C ' HD23 ' A' ' 135' ' ' LEU . 2.5 tt . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.546 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.445 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.2 m . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.4 mp -102.15 120.95 41.29 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.348 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 50.2 mt -116.37 116.1 27.1 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.314 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.4 p -61.93 -168.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -84.26 -26.01 28.95 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.454 ' C ' HD22 ' A' ' 46' ' ' LEU . 69.1 m-20 -68.67 7.48 0.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.0 mm? -101.89 131.51 48.21 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.322 0.582 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 109.74 9.34 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.925 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.8 mt -86.51 142.37 13.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.944 0.402 . . . . 0.0 110.783 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -136.07 140.61 43.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.593 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.1 -90.78 1.52 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.92 119.29 0.54 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -101.79 151.24 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.612 0.244 . . . . 0.0 110.371 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 128.27 24.82 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.869 0.366 . . . . 0.0 110.556 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.25 109.09 0.24 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -53.85 174.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.754 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.12 -173.56 23.42 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -89.94 134.47 34.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.9 tp -130.46 106.77 8.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.91 0.386 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.92 101.92 13.48 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 76' ' ' GLY . 12.4 tt -113.34 130.9 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.337 0.589 . . . . 0.0 112.334 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.462 ' O ' ' OG1' ' A' ' 78' ' ' THR . 5.5 p-10 -122.78 60.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.92 -158.35 8.77 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.44 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.4 t -105.54 113.08 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.464 -0.368 . . . . 0.0 110.631 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.5 p -115.33 121.08 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 121.058 0.456 . . . . 0.0 110.204 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -124.47 132.23 53.49 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.51 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.85 -157.68 18.3 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.4 118.67 31.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.835 0.35 . . . . 0.0 110.611 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 t -109.67 120.21 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.679 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -118.16 111.9 19.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 71' ' ' GLY . 75.7 t -154.33 161.76 2.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 110.617 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.557 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -70.54 -49.81 29.05 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.42 ' H ' HG12 ' A' ' 70' ' ' VAL . 28.3 mtt180 -134.14 119.04 18.38 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.67 113.87 26.52 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.3 m -105.44 120.62 42.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.713 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.95 108.16 15.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.08 0.467 . . . . 0.0 110.586 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -53.53 -158.47 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 CA-C-N 114.904 -1.044 . . . . 0.0 113.216 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -84.88 -23.66 28.86 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 7.6 m -66.86 -25.96 66.66 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.137 -1.025 . . . . 0.0 109.087 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.59 38.58 71.93 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-O 118.768 -1.018 . . . . 0.0 114.523 175.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -112.61 113.28 25.35 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.335 1.567 . . . . 0.0 110.474 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.6 t -146.65 115.68 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.52 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -139.34 108.02 5.92 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.607 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.89 -155.53 26.59 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -102.15 115.91 31.55 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.8 t -103.15 134.91 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 121.051 0.453 . . . . 0.0 111.33 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -133.87 117.84 17.27 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.572 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.32 177.29 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.15 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -94.26 -43.4 8.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.08 140.65 50.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.277 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.45 111.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.585 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -103.87 105.68 15.95 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' A' ' 108' ' ' TYR . 51.7 t -88.56 136.49 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.205 0.526 . . . . 0.0 111.648 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -136.15 20.92 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.02 -151.07 5.99 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.676 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' GLY . 34.9 mtp180 -107.79 133.89 51.53 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.934 0.873 . . . . 0.0 112.991 -177.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 p -139.77 126.83 24.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.723 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 97' ' ' VAL . 33.4 m -138.75 127.57 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.613 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.28 -96.97 0.17 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.76 133.52 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.06 138.26 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.618 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.5 m -133.21 139.42 46.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.373 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.466 ' OG ' ' CG2' ' A' ' 105' ' ' VAL . 7.1 p -172.15 172.36 4.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 11.7 mptt -82.58 -42.55 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.555 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -125.91 126.26 44.11 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.449 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.466 ' CG2' ' OG ' ' A' ' 102' ' ' SER . 92.3 t -132.88 128.96 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -131.02 119.21 21.7 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.908 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 107' ' ' LEU . 9.2 mp -86.57 95.76 9.86 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.182 0.515 . . . . 0.0 110.843 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.52 ' CD2' ' OE2' ' A' ' 125' ' ' GLU . 16.4 m-85 -93.95 162.65 13.81 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.289 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.602 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.17 -159.55 4.92 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.269 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 t -67.36 31.53 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.219 -0.49 . . . . 0.0 110.217 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.602 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.1 p -45.49 134.54 6.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.402 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 129' ' ' PHE . 49.3 t80 -138.03 116.75 12.23 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.072 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -121.45 120.56 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 120.985 0.422 . . . . 0.0 110.71 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -132.94 105.68 7.24 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.67 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.45 -154.12 25.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -92.29 116.17 28.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.652 0.263 . . . . 0.0 110.468 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.6 tt -120.16 134.39 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.336 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.2 m -131.96 132.86 43.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.509 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.498 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -170.28 168.82 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.552 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -100.42 -36.55 9.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -126.44 133.14 51.31 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.0 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.23 149.28 44.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.416 . . . . 0.0 110.851 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.13 137.39 44.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.778 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.613 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.3 mmt -113.59 124.82 53.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.52 ' OE2' ' CD2' ' A' ' 108' ' ' TYR . 24.3 tt0 -120.44 151.91 38.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.164 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -40.06 137.02 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.848 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 93.92 1.68 65.2 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.24 116.27 28.69 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.66 0.267 . . . . 0.0 111.307 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.415 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 27.2 m-85 -130.43 103.5 6.7 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.613 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 3.6 p90 -132.74 119.22 20.05 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -120.06 100.17 7.04 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.95 176.81 33.31 Favored Glycine 0 C--N 1.32 -0.328 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -81.76 109.34 16.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.4 t -89.96 112.98 24.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.755 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.443 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.714 0.292 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.5 tp -135.74 126.74 27.8 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.348 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -118.1 136.36 53.63 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.455 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -64.61 -178.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.52 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.55 -18.06 27.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.09 25.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.187 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 44' ' ' ALA . 12.7 mt -128.02 142.05 51.34 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.391 0.615 . . . . 0.0 110.951 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.2 p -136.61 128.19 28.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.18 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.2 mm -86.7 136.6 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.862 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -134.87 139.35 44.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.302 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.55 -100.14 2.63 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.89 116.31 0.7 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.51 151.18 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 t -145.17 130.99 19.08 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.606 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . 176.01 93.57 0.09 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 54' ' ' GLY . 19.6 mm-40 -48.37 178.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.766 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.85 -175.98 40.62 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -90.23 116.05 27.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.524 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 tp -116.52 112.05 20.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.27 112.48 24.46 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.557 HD13 ' CG2' ' A' ' 64' ' ' VAL . 11.5 tt -118.36 133.5 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.129 0.49 . . . . 0.0 111.621 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 78' ' ' THR . 25.0 t70 -117.27 50.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.065 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.77 -158.26 7.47 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.29 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 t -105.9 111.22 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 114.813 -0.693 . . . . 0.0 110.393 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.557 ' CG2' HD13 ' A' ' 60' ' ' ILE . 76.7 t -96.7 117.55 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.667 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -124.24 129.27 50.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.363 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.75 -150.95 18.03 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.48 150.45 22.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.851 0.358 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 t -134.56 125.1 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.423 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -128.4 119.69 25.47 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.673 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.586 HG22 ' N ' ' A' ' 71' ' ' GLY . 5.2 p -167.99 163.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.662 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.586 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -68.7 -50.36 36.95 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.417 ' H ' HG22 ' A' ' 70' ' ' VAL . 37.3 mtt85 -136.27 118.63 15.7 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.898 0.38 . . . . 0.0 110.061 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.0 tp -102.84 115.4 30.52 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.622 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.1 m -110.95 115.82 30.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.869 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.3 t -82.91 110.52 18.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.117 0.484 . . . . 0.0 110.7 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -51.62 -158.47 0.01 OUTLIER Glycine 0 CA--C 1.526 0.75 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.767 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 45.5 mt-10 -85.0 -18.31 34.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.552 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 93.6 m -67.27 -26.38 66.52 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.33 -0.948 . . . . 0.0 108.904 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.01 37.99 64.41 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 114.972 -1.013 . . . . 0.0 113.839 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -114.73 113.63 24.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.978 1.389 . . . . 0.0 110.712 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.4 t -147.87 111.48 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.515 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -133.15 107.45 8.2 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.855 0.359 . . . . 0.0 110.205 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.99 -155.6 26.67 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 p -101.54 127.11 48.39 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.8 t -112.15 134.24 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.917 0.389 . . . . 0.0 111.527 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -130.54 118.71 21.47 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.657 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.44 166.49 14.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.19 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -87.1 -32.57 19.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.728 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.67 140.57 48.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.554 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.2 111.27 4.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.043 0.449 . . . . 0.0 111.247 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -110.47 114.96 28.79 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.24 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.617 HG12 ' H ' ' A' ' 94' ' ' GLY . 18.1 t -103.92 136.45 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.159 0.504 . . . . 0.0 111.893 -178.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -129.97 20.06 5.46 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.617 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.65 -151.64 6.22 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.401 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 79' ' ' GLY . 64.6 mtm180 -107.01 134.48 50.1 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.289 1.042 . . . . 0.0 113.348 -177.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 p -138.03 128.54 36.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 113.994 -1.457 . . . . 0.0 109.199 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 97' ' ' VAL . 27.8 m -138.63 125.79 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 110.969 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.49 -99.03 0.19 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.78 137.33 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 pt -142.36 143.11 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.811 0.338 . . . . 0.0 111.184 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 101' ' ' THR . 12.9 t -133.3 121.11 21.94 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.237 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.4 t -160.18 152.61 20.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 11.0 mptt -67.92 -33.37 74.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.738 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -134.09 138.06 45.03 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.448 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.3 t -138.61 128.15 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -127.96 110.53 12.62 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.835 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.817 HD22 ' N ' ' A' ' 107' ' ' LEU . 1.0 OUTLIER -87.91 96.85 10.64 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.119 0.485 . . . . 0.0 111.058 -179.144 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 14.4 m-85 -93.56 162.5 13.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.103 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.628 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 68.2 176.12 10.43 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.615 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -71.15 28.22 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.628 ' H ' ' C ' ' A' ' 109' ' ' GLY . 38.3 p -49.33 157.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.133 -0.939 . . . . 0.0 113.307 -177.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -132.94 128.31 36.2 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.921 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 117' ' ' ILE . 57.6 t -123.68 121.53 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.989 0.424 . . . . 0.0 110.901 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -134.16 107.61 7.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.99 -163.75 34.99 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -97.75 117.43 32.04 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.793 0.33 . . . . 0.0 110.197 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.569 HD12 ' CZ ' ' A' ' 130' ' ' PHE . 7.6 mt -102.53 142.56 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.189 0.519 . . . . 0.0 110.971 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.9 m -133.45 86.99 2.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.709 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.516 ' CE1' HD22 ' A' ' 122' ' ' LEU . 0.0 OUTLIER -137.99 161.7 36.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.038 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -99.95 -28.56 13.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.04 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -130.13 129.41 43.49 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.184 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.516 HD22 ' CE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -125.16 149.12 48.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.38 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.25 120.81 12.51 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.207 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.0 mtp -104.99 126.84 52.49 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 110.713 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 13.3 mp0 -117.15 162.78 17.3 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.322 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.2 p -41.49 122.25 1.88 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.469 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 97.18 9.27 55.88 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.34 116.1 24.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 111.021 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -129.0 106.91 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 117' ' ' ILE . 2.0 t80 -131.56 108.74 9.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -125.34 99.12 5.92 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.99 177.89 34.52 Favored Glycine 0 C--N 1.32 -0.346 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -81.44 108.48 15.08 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 t -91.75 129.82 37.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.532 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.828 0.346 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.629 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -135.45 143.14 45.74 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.309 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 mt -119.82 123.71 44.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.5 p -52.52 -179.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.057 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.36 -37.71 14.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.928 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 p-10 -71.49 29.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.801 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.4 tp -121.15 141.26 50.99 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.243 0.544 . . . . 0.0 111.106 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.6 m -133.2 132.29 41.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.933 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.695 HD12 ' N ' ' A' ' 48' ' ' ILE . 1.5 mp -86.47 142.43 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.621 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -135.65 140.24 44.38 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.924 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.65 -107.13 2.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.43 128.23 1.97 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 52' ' ' VAL . 11.7 p -124.3 127.66 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.907 0.384 . . . . 0.0 110.663 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 t -105.25 155.99 18.54 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.64 -162.84 16.45 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -163.84 156.33 17.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.45 -155.28 32.25 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -88.58 135.06 33.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 110.463 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 tp -135.73 111.84 9.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -88.65 101.53 14.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.981 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.1 tp -100.63 104.23 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 121.153 0.501 . . . . 0.0 110.584 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 78' ' ' THR . 31.9 t70 -105.87 41.76 1.35 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 80' ' ' HIS . . . -138.61 -160.13 8.31 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.464 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.7 p -107.32 119.9 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.184 0.516 . . . . 0.0 110.448 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -95.41 118.97 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 48' ' ' ILE . 22.7 tptp -122.78 104.14 9.1 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.46 -145.39 16.35 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 6.1 t70 -108.05 148.55 29.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.515 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.459 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 10.6 p -146.66 135.4 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.645 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -127.15 132.99 50.42 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.332 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.634 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.8 p -168.02 174.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.525 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.634 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -76.46 -73.69 1.0 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -113.66 119.57 37.9 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.415 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -102.15 122.85 44.95 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.964 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.4 m -116.05 115.41 26.06 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.841 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.7 t -83.24 107.15 14.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.025 0.441 . . . . 0.0 110.847 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -53.12 -158.81 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.507 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -84.9 -17.29 38.32 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.431 HG22 ' ND1' ' A' ' 80' ' ' HIS . 34.6 m -67.35 -26.88 66.7 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.987 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.75 38.12 63.41 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 114.969 -1.014 . . . . 0.0 114.301 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.431 ' ND1' HG22 ' A' ' 78' ' ' THR . 34.6 m170 -116.03 114.18 24.23 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.991 1.396 . . . . 0.0 110.399 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.9 t -147.77 111.12 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.974 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -139.04 109.48 6.54 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.048 0.452 . . . . 0.0 111.085 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.63 -155.78 26.9 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -100.78 115.71 30.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.48 133.25 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 110.985 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -133.39 117.46 17.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.637 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.3 175.85 11.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 110.932 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.66 -43.43 11.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.308 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.3 146.42 38.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.764 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.498 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.3 m -146.16 127.32 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.029 0.442 . . . . 0.0 111.477 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -108.92 122.85 48.09 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 94' ' ' GLY . 3.6 t -103.83 136.49 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.331 0.586 . . . . 0.0 112.155 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -135.12 19.82 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.537 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.47 -152.09 6.36 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.23 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -107.99 137.34 46.15 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.03 125.01 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-N 113.661 -1.609 . . . . 0.0 108.968 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.18 108.95 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 110.439 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.62 -94.74 0.14 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -169.0 140.12 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 pt -143.89 149.22 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.002 0.43 . . . . 0.0 111.608 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.9 m -132.03 116.92 17.7 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.283 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.2 p -152.56 147.57 26.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -76.08 -21.91 56.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -147.13 135.33 21.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.144 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.406 HG23 HG23 ' A' ' 90' ' ' VAL . 3.5 p -148.91 146.21 17.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.22 0.533 . . . . 0.0 111.152 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -138.59 117.08 12.06 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.245 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.3 96.76 9.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.067 0.461 . . . . 0.0 111.883 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 92' ' ' VAL . 16.4 m-85 -93.43 161.36 14.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.555 178.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.59 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 68.88 175.92 11.61 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.606 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.9 p -71.26 28.26 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.182 0.515 . . . . 0.0 109.89 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.59 ' H ' ' C ' ' A' ' 109' ' ' GLY . 20.9 p -49.5 158.43 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.403 -0.817 . . . . 0.0 113.145 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -140.59 109.56 6.08 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.628 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.0 t -112.8 116.44 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.067 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.433 ' OD2' ' O ' ' A' ' 131' ' ' GLN . 3.2 t70 -133.78 127.71 33.27 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.548 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 146.28 -172.12 26.96 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -75.91 104.27 6.37 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 17.2 tt -109.79 142.31 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.038 0.447 . . . . 0.0 111.377 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.2 m -132.47 121.36 23.25 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.407 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 155.08 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.717 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 1.1 mp0 -96.95 -46.67 6.12 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.361 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -118.26 128.22 54.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.306 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.405 ' N ' HD23 ' A' ' 122' ' ' LEU . 0.2 OUTLIER -138.15 140.24 39.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.078 0.466 . . . . 0.0 111.0 -179.25 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -126.32 151.11 47.99 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.73 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.1 mtp -132.85 112.74 12.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.755 0.312 . . . . 0.0 110.843 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 5.6 mp0 -101.32 170.62 8.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.176 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.0 t -44.9 129.54 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 91.9 9.24 62.67 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.99 116.71 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.109 0.48 . . . . 0.0 110.788 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -128.62 119.23 24.34 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 130' ' ' PHE . 40.3 t80 -131.96 111.89 11.93 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.433 ' O ' ' OD2' ' A' ' 114' ' ' ASP . 70.7 mm-40 -128.46 97.6 4.77 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 174.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.49 176.67 35.39 Favored Glycine 0 C--N 1.321 -0.26 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.459 HH11 HD11 ' A' ' 135' ' ' LEU . 77.1 ttt-85 -83.19 109.56 17.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.4 t -86.44 126.04 34.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.165 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 135' ' ' LEU . 8.5 mp . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.841 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' HD12 ' A' ' 41' ' ' LEU . 74.1 m . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.805 0.336 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.3 mp -101.02 109.95 21.91 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 42' ' ' LEU . 9.4 mp -93.47 119.75 32.92 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.278 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.9 m -51.07 169.15 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.599 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -86.67 -24.0 25.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -74.94 27.48 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.979 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 44' ' ' ALA . 33.0 mt -126.69 145.57 50.53 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 121.384 0.611 . . . . 0.0 110.986 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.448 HG22 ' CG1' ' A' ' 63' ' ' VAL . 11.1 p -130.28 133.49 46.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.635 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.451 ' O ' ' O ' ' A' ' 65' ' ' LYS . 19.5 mm -86.48 135.08 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.792 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -134.75 130.97 37.01 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.0 -108.14 3.44 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.96 118.78 0.86 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.09 149.54 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.595 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.59 149.37 52.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 70' ' ' VAL . . . -178.77 64.85 0.08 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -42.31 118.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.657 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.504 ' H ' ' H ' ' A' ' 71' ' ' GLY . . . 139.6 -166.53 25.55 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -79.41 113.38 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.395 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.2 tp -118.02 107.56 14.18 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.623 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' A' ' 61' ' ' ASP . 1.1 tm0? -98.52 118.24 34.77 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 62' ' ' GLY . 10.7 tt -127.92 130.56 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.18 0.514 . . . . 0.0 111.487 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -119.19 48.71 1.44 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.831 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.405 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -138.07 -159.42 8.13 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.194 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.448 ' CG1' HG22 ' A' ' 47' ' ' THR . 3.4 p -106.71 125.73 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.519 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -100.18 117.77 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.014 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.3 tppt? -124.65 91.04 3.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.312 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.64 -140.78 9.21 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 11.8 t0 -110.53 152.44 26.38 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.751 0.31 . . . . 0.0 110.683 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.519 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 56.8 t -144.03 126.05 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.451 ' O ' HG23 ' A' ' 70' ' ' VAL . 15.5 ttp180 -126.56 114.25 17.85 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.555 HG12 ' N ' ' A' ' 71' ' ' GLY . 53.9 t -155.99 162.09 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.888 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.555 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -60.56 -56.02 26.69 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.559 ' HE ' ' CG2' ' A' ' 74' ' ' THR . 33.0 ttt180 -130.23 141.43 50.63 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 74' ' ' THR . 1.8 tt -129.08 113.34 15.01 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.892 0.377 . . . . 0.0 110.993 -179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.559 ' CG2' ' HE ' ' A' ' 72' ' ' ARG . 20.2 p -110.12 121.01 44.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.815 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.09 112.5 20.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.144 0.497 . . . . 0.0 110.943 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -51.92 -161.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.702 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.909 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -84.92 -20.2 31.06 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.167 -0.517 . . . . 0.0 112.362 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.2 m -66.95 -26.05 66.64 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.281 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.21 38.62 78.34 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-O 118.801 -1.0 . . . . 0.0 114.869 176.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -115.16 113.98 24.68 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.236 1.518 . . . . 0.0 110.059 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.4 t -147.79 111.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.023 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -136.02 108.22 7.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.888 0.375 . . . . 0.0 110.288 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.1 -155.44 26.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 t -99.48 115.9 30.36 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 t -104.33 131.35 53.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.033 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -132.29 117.6 18.39 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.915 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.98 170.71 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.8 -36.67 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.078 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.22 138.8 50.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.482 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 t -140.91 125.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.173 0.511 . . . . 0.0 111.551 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' OE1' ' NH2' ' A' ' 72' ' ' ARG . 68.3 mt-10 -123.48 106.45 10.63 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 94' ' ' GLY . 2.5 t -88.81 139.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.203 0.525 . . . . 0.0 111.89 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -135.91 19.22 3.25 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.525 ' N ' ' OG ' ' A' ' 111' ' ' SER . . . -160.87 -151.7 6.32 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.233 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' GLY . 26.6 mtm180 -107.63 133.35 52.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 122.102 0.953 . . . . 0.0 113.169 -177.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.26 113.86 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 114.209 -1.359 . . . . 0.0 109.472 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 97' ' ' VAL . 13.1 m -128.7 126.81 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.949 0.404 . . . . 0.0 110.743 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.9 -94.55 0.15 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.4 137.6 9.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.2 pt -143.85 140.36 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.087 0.47 . . . . 0.0 111.546 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.3 m -132.91 127.0 33.37 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.136 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.416 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 21.3 m -164.87 170.83 14.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.825 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -82.26 -47.73 12.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -126.12 137.77 53.63 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.578 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.06 137.7 46.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.061 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -136.43 107.25 6.62 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.894 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -81.4 96.75 7.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.168 0.509 . . . . 0.0 111.128 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.486 ' O ' ' O ' ' A' ' 92' ' ' VAL . 19.1 m-85 -93.47 162.77 13.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.184 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.627 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 67.17 174.53 6.86 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.338 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.4 p -70.23 27.76 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.303 0.573 . . . . 0.0 109.638 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.627 ' H ' ' C ' ' A' ' 109' ' ' GLY . 32.0 m -53.27 160.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.687 -177.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -130.64 150.97 51.59 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.987 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 62.0 t -141.99 118.8 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -134.68 107.55 7.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.08 -159.03 30.72 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -92.88 117.7 30.32 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.69 142.68 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.333 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.547 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 8.7 m -149.66 112.43 4.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.628 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.547 ' ND1' ' O ' ' A' ' 118' ' ' THR . 52.8 m-70 -154.68 174.24 15.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.063 0.459 . . . . 0.0 111.056 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -99.45 -25.66 14.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.242 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.547 ' C ' HD22 ' A' ' 122' ' ' LEU . 41.7 mt-30 -137.93 123.38 19.57 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.071 0.462 . . . . 0.0 110.61 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.715 HD22 ' N ' ' A' ' 122' ' ' LEU . 2.7 mm? -105.48 147.7 28.01 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.0 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -150.65 118.86 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.395 . . . . 0.0 110.429 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.2 mmm -106.43 124.45 49.62 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -113.45 164.27 13.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.364 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.7 m -43.23 128.89 4.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.436 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 89.82 9.4 66.17 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.52 116.85 24.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.472 . . . . 0.0 111.076 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -128.14 105.64 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -128.58 108.8 10.81 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 111.937 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -127.67 98.86 5.35 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.25 178.63 34.42 Favored Glycine 0 C--N 1.319 -0.373 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.425 ' HE ' HD21 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -81.0 108.69 14.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 177.295 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 t -89.95 131.63 35.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.634 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.425 HD21 ' HE ' ' A' ' 133' ' ' ARG . 92.5 mt . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.622 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 120.849 0.357 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.499 ' CD1' HE21 ' A' ' 59' ' ' GLN . 51.6 tp -126.21 110.14 13.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 42' ' ' LEU . 3.8 mm? -97.16 131.96 43.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.287 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -66.28 -164.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -86.38 -22.87 26.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.54 28.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -114.49 122.28 46.09 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.249 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.548 ' N ' HD13 ' A' ' 46' ' ' LEU . 75.5 m -130.61 122.49 27.55 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.258 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' A' ' 65' ' ' LYS . 32.0 mm -86.65 133.08 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.788 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -135.46 125.38 25.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.313 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.0 -108.95 3.73 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.41 120.2 0.95 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -108.65 151.01 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 120.818 0.342 . . . . 0.0 110.296 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.8 143.6 50.32 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.584 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.43 -172.14 40.84 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -147.16 157.2 43.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 110.268 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.03 -165.65 15.29 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -96.03 121.67 38.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 110.734 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.479 ' C ' HD13 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -117.2 107.63 14.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.525 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.604 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -92.46 101.93 14.38 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.687 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.4 tt -112.08 135.37 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.41 0.624 . . . . 0.0 112.12 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.604 ' CG ' HE22 ' A' ' 59' ' ' GLN . 0.3 OUTLIER -123.13 55.74 1.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.094 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -144.84 -158.98 7.85 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.497 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 t -105.61 119.61 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.335 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.458 ' CG2' HD13 ' A' ' 60' ' ' ILE . 65.7 t -103.7 112.75 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 48' ' ' ILE . 49.4 mtpt -124.52 110.71 14.82 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.13 -157.8 22.63 Favored Glycine 0 N--CA 1.466 0.657 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 9.1 t0 -92.15 149.82 21.27 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.408 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 86.3 t -143.4 132.13 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.055 0.455 . . . . 0.0 111.074 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -128.46 110.95 12.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.008 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.668 HG12 ' N ' ' A' ' 71' ' ' GLY . 40.6 t -149.13 170.67 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.683 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.668 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -86.05 -45.14 5.75 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -133.19 122.86 24.61 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.0 tp -120.32 116.91 26.46 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.999 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.1 m -111.76 121.38 44.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.821 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.3 t -83.21 108.29 15.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.069 0.461 . . . . 0.0 110.852 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -51.11 -163.55 0.01 OUTLIER Glycine 0 CA--C 1.525 0.686 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.775 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -85.38 -18.15 34.58 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 77.2 m -66.93 -26.19 66.73 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 119.347 -0.941 . . . . 0.0 108.868 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.56 37.38 67.17 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 114.832 -1.076 . . . . 0.0 114.779 175.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -113.98 112.78 23.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.173 1.486 . . . . 0.0 110.102 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.7 t -148.87 112.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.67 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -134.82 107.89 7.64 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.15 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.27 -155.32 26.4 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 t -111.35 123.53 50.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.51 141.01 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.208 0.527 . . . . 0.0 111.066 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -128.26 117.62 21.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.529 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.98 176.82 12.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.99 0.424 . . . . 0.0 110.829 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -94.92 -53.29 3.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.81 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.03 135.46 47.6 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.27 143.58 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.786 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -120.74 112.67 19.14 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.217 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -86.66 135.52 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.126 0.489 . . . . 0.0 111.808 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -135.58 18.85 3.32 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.516 ' N ' ' OG ' ' A' ' 111' ' ' SER . . . -160.51 -152.45 6.57 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.58 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' GLY . 64.3 mtp180 -107.43 132.36 53.28 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.232 1.015 . . . . 0.0 113.114 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.45 123.34 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 114.091 -1.413 . . . . 0.0 109.374 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 97' ' ' VAL . 31.3 m -138.96 124.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.594 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.78 -91.52 0.12 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.46 124.2 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.392 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.9 tt -121.15 136.88 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.072 0.463 . . . . 0.0 110.832 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.8 m -133.61 110.52 9.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.192 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m -156.53 164.07 38.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.053 0.454 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -86.43 -29.07 23.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -138.82 130.68 27.83 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -148.25 141.63 18.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.164 0.507 . . . . 0.0 111.108 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -135.69 128.56 31.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.562 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 107' ' ' LEU . 6.9 mp -88.5 95.02 10.06 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.704 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.483 ' O ' ' O ' ' A' ' 92' ' ' VAL . 23.0 m-85 -93.7 162.04 14.1 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.853 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.612 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 62.97 176.57 3.3 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.605 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -70.81 28.02 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.612 ' H ' ' C ' ' A' ' 109' ' ' GLY . 53.2 m -57.33 169.93 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.629 -177.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 4.1 t80 -144.8 144.56 31.22 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.016 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.64 116.97 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.827 0.346 . . . . 0.0 110.354 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -133.72 114.82 13.86 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.73 -160.37 29.27 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -84.37 102.41 12.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.696 0.284 . . . . 0.0 110.248 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.422 HG21 ' CE1' ' A' ' 119' ' ' HIS . 80.5 mt -93.81 142.92 12.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.135 0.493 . . . . 0.0 110.973 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.1 m -140.86 106.05 5.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.464 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.485 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -155.31 145.55 21.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.395 0.617 . . . . 0.0 111.699 -179.53 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.42 -26.4 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.142 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -127.29 124.46 38.83 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.428 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.72 149.8 32.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.025 0.441 . . . . 0.0 111.545 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -144.16 138.01 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.648 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -104.76 127.34 52.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.964 0.411 . . . . 0.0 110.76 -179.252 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.62 149.85 33.97 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.783 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.8 m -40.49 116.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 116.11 4.77 18.14 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.64 28.25 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.747 0.308 . . . . 0.0 111.311 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.537 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 43.0 m-85 -130.17 102.81 6.39 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 8.8 p90 -132.81 130.01 39.28 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -128.36 100.44 5.81 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 175.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.81 177.2 33.04 Favored Glycine 0 C--N 1.32 -0.331 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -81.42 108.12 14.76 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.1 m -89.51 111.07 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.467 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 N--CA 1.464 0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.641 -179.796 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 120.674 0.273 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.509 ' C ' HD12 ' A' ' 42' ' ' LEU . 17.7 tp -142.51 108.77 5.26 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.278 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.555 ' N ' HD12 ' A' ' 42' ' ' LEU . 8.9 mp -102.51 134.78 45.28 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.402 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.3 m -73.97 -165.11 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.501 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -79.33 -41.95 26.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.982 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.509 ' C ' HD22 ' A' ' 46' ' ' LEU . 10.3 t70 -72.94 29.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.509 HD22 ' C ' ' A' ' 45' ' ' ASP . 3.9 mm? -111.5 127.85 55.83 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.064 0.459 . . . . 0.0 110.46 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.66 108.89 11.5 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.974 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.2 mm -101.45 146.94 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.81 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' GLY . 86.9 mt-10 -99.95 100.6 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.419 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -36.29 99.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 67' ' ' ASP . . . -178.87 18.71 0.03 OUTLIER Glycine 0 CA--C 1.518 0.25 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.66 148.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.506 -0.347 . . . . 0.0 110.784 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.5 p -139.68 113.56 8.73 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.36 -165.97 15.47 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -151.29 100.16 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.13 -164.09 36.52 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -88.26 114.87 25.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.772 0.32 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.09 107.66 15.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.747 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.578 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -105.96 102.09 11.54 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.193 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' GLY . 13.8 tt -109.6 135.52 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.215 0.531 . . . . 0.0 112.031 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.578 ' CG ' HE22 ' A' ' 59' ' ' GLN . 0.7 OUTLIER -126.76 56.59 1.48 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.266 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.17 -159.02 8.61 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.421 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 80' ' ' HIS . 43.8 t -106.47 113.22 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 115.09 -0.555 . . . . 0.0 109.931 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.94 119.59 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.942 0.401 . . . . 0.0 110.563 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' GLY . 5.6 mtmp? -125.71 135.12 51.74 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.347 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.61 -132.5 8.23 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.431 -0.667 . . . . 0.0 111.431 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 51' ' ' GLY . 9.1 t70 -111.45 125.03 53.45 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.095 0.474 . . . . 0.0 111.436 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.9 t -123.23 123.99 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.403 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -127.64 122.14 32.3 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.526 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.629 HG22 ' N ' ' A' ' 71' ' ' GLY . 14.6 p -162.96 168.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.483 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.629 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -67.23 -48.7 57.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.476 HH21 ' NH2' ' A' ' 106' ' ' ARG . 73.2 ttt180 -138.23 123.46 19.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.746 0.308 . . . . 0.0 110.337 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -111.81 109.93 20.01 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.681 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.6 m -102.78 123.58 46.71 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.864 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.03 104.45 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.06 0.457 . . . . 0.0 109.999 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -51.39 -158.29 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 CA-C-N 114.936 -1.029 . . . . 0.0 113.09 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -84.48 -22.62 30.2 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.471 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 99.2 m -66.96 -26.46 66.83 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.256 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.16 37.8 65.16 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-O 118.832 -0.982 . . . . 0.0 114.23 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.471 ' ND1' ' O ' ' A' ' 78' ' ' THR . 12.6 m80 -113.94 113.11 24.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.269 1.535 . . . . 0.0 110.544 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.83 111.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.15 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -138.66 106.84 5.75 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.941 0.4 . . . . 0.0 110.417 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.97 -155.05 26.09 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.5 p -93.56 129.3 39.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 t -123.68 137.81 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.112 0.482 . . . . 0.0 111.17 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -137.12 130.98 32.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.748 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -171.87 170.9 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.027 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.92 -43.51 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.75 136.69 49.94 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.347 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.17 120.98 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 111.68 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -111.23 107.47 16.79 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.474 ' O ' ' O ' ' A' ' 108' ' ' TYR . 16.9 t -92.22 133.93 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.233 0.54 . . . . 0.0 112.44 -178.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -137.21 19.6 2.97 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.709 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.51 -151.32 6.1 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.919 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 68.9 mtp180 -108.18 134.25 51.29 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 122.12 0.962 . . . . 0.0 113.08 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.42 126.23 28.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.556 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 97' ' ' VAL . 16.1 m -138.84 122.66 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.665 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.09 -98.05 0.17 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.0 137.91 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 100' ' ' ILE . 4.9 pt -141.72 144.95 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.975 0.417 . . . . 0.0 111.056 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.0 m -133.02 122.53 24.32 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.127 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 m -158.83 171.79 19.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.332 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 1.0 OUTLIER -83.09 -48.08 10.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.73 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -125.44 130.36 51.68 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.601 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.85 128.73 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.476 ' NH2' HH21 ' A' ' 72' ' ' ARG . 45.7 mtm-85 -127.05 117.2 21.98 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.828 HD22 ' N ' ' A' ' 107' ' ' LEU . 1.4 mm? -90.75 95.23 10.03 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.166 0.508 . . . . 0.0 111.222 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' A' ' 92' ' ' VAL . 37.5 m-85 -95.11 162.1 13.85 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.583 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.596 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 58.72 -164.12 9.3 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.308 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.1 p -67.1 32.42 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.141 -0.529 . . . . 0.0 110.184 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.596 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.3 p -44.78 142.65 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.3 0.571 . . . . 0.0 111.455 -177.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -143.97 119.88 10.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.496 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.34 120.8 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.926 0.394 . . . . 0.0 110.488 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -132.7 102.84 5.83 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.476 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.14 -159.87 28.58 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -85.44 115.36 23.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.696 0.284 . . . . 0.0 110.556 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 117' ' ' ILE . 14.3 tt -116.55 127.73 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.5 m -119.63 132.43 55.7 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.222 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.54 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -174.04 154.51 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.475 ' N ' ' OE2' ' A' ' 120' ' ' GLU . 1.8 mp0 -88.09 -51.23 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.259 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -117.18 133.3 56.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.003 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.09 148.68 32.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.461 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -136.95 132.75 34.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.695 ' SD ' HD23 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -105.44 131.76 52.45 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.985 0.421 . . . . 0.0 111.092 -179.361 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -117.35 162.88 17.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.138 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.5 t -45.91 140.42 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.97 7.26 68.45 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.85 116.22 28.72 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.603 0.239 . . . . 0.0 111.53 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -129.87 102.5 6.33 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 9.2 p90 -132.81 115.51 15.38 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -114.39 100.1 8.07 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 175.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.89 177.03 34.0 Favored Glycine 0 C--N 1.322 -0.22 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -82.11 109.41 16.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.522 ' C ' HD22 ' A' ' 135' ' ' LEU . 87.7 p -94.05 109.58 21.33 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.392 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 135' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.464 0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.166 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.467 0.397 0 CA-C-O 120.819 0.342 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -120.39 109.01 14.82 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.287 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 42' ' ' LEU . 3.7 mm? -100.36 107.07 18.75 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.955 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' LEU . 21.7 m -49.5 -178.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.59 -27.82 19.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.041 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.457 ' C ' HD22 ' A' ' 46' ' ' LEU . 4.2 m-20 -69.44 12.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.368 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -102.32 137.51 40.47 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.234 0.54 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 p -130.26 120.29 24.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.816 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.4 135.16 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 110.398 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -134.26 139.56 45.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.588 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.85 -74.01 2.54 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.0 133.19 1.85 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.7 m -126.84 145.51 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 120.803 0.335 . . . . 0.0 110.403 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.1 p -102.38 167.12 10.17 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.49 -160.91 29.66 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -168.59 151.07 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.498 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.6 -163.1 18.66 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -85.72 121.74 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 tp -114.29 107.39 15.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.516 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.75 111.66 23.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' GLY . 13.8 tt -130.44 139.32 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.112 0.482 . . . . 0.0 111.713 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' OG1' ' A' ' 78' ' ' THR . 28.7 p-10 -128.3 53.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.49 -157.93 7.57 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.506 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t -105.51 115.58 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.208 -0.496 . . . . 0.0 109.849 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 60' ' ' ILE . 57.7 t -104.98 111.46 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.218 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -124.99 110.53 14.32 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.834 0.349 . . . . 0.0 110.693 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.26 -170.81 23.69 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -89.7 111.81 22.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.815 0.34 . . . . 0.0 110.229 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.5 t -109.76 136.13 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 120.96 0.41 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -128.31 127.67 43.16 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.284 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.1 p -167.27 166.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.408 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.462 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -62.12 -69.81 1.2 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -121.81 119.51 31.89 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.241 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 74' ' ' THR . 2.1 tt -101.26 117.71 35.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.504 ' N ' HD23 ' A' ' 73' ' ' LEU . 2.5 p -110.89 117.09 32.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.218 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.76 111.92 20.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -52.31 -161.54 0.01 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.182 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 5.5 mp0 -85.24 -24.34 27.84 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 21.2 p -66.32 -25.07 66.66 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.703 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 57.01 38.79 87.61 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-O 118.595 -1.114 . . . . 0.0 115.03 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -109.44 112.0 23.86 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.565 1.683 . . . . 0.0 110.075 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.5 t -149.36 111.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.205 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.07 107.29 5.76 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.697 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.94 -155.2 26.27 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -92.13 133.45 35.76 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -129.72 134.62 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 121.133 0.492 . . . . 0.0 111.363 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -137.23 129.94 30.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.5 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -170.46 172.25 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.384 -0.527 . . . . 0.0 111.144 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -89.19 -39.61 13.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.117 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.36 143.72 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.449 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 t -144.62 116.67 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.091 0.472 . . . . 0.0 111.376 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -116.99 107.1 14.14 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.391 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.514 HG12 ' H ' ' A' ' 94' ' ' GLY . 52.6 t -89.4 139.49 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.258 0.552 . . . . 0.0 112.022 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -135.93 19.94 3.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.514 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.77 -151.83 6.29 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.551 -177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 74.9 mtt180 -107.74 135.36 49.29 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 122.089 0.947 . . . . 0.0 112.817 -177.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.63 132.55 41.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.71 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 97' ' ' VAL . 26.9 m -139.58 116.09 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 110.776 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.84 -101.52 0.19 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -154.79 148.89 25.87 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.1 tt -147.29 134.03 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.169 0.509 . . . . 0.0 111.291 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.5 m -133.93 120.55 20.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.597 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 72.7 m -161.32 173.94 14.26 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.033 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.51 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 1.1 mptp? -84.79 -38.52 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.203 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -126.84 135.45 51.01 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.4 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.2 t -141.98 128.73 19.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.733 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.458 ' NH2' ' OH ' ' A' ' 108' ' ' TYR . 37.1 mtp180 -134.44 125.68 27.96 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.861 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.621 HD12 ' N ' ' A' ' 107' ' ' LEU . 8.6 mp -94.81 95.68 8.85 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.068 0.461 . . . . 0.0 111.26 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 92' ' ' VAL . 31.7 m-85 -94.22 161.78 14.12 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.1 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.606 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 59.44 -162.6 13.91 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.259 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 t -67.94 32.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.099 -0.551 . . . . 0.0 109.821 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.606 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.5 t -44.94 133.02 6.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.478 0.656 . . . . 0.0 112.003 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -133.66 126.92 31.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.836 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.0 t -133.81 122.87 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.994 0.426 . . . . 0.0 110.908 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -133.56 102.78 5.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.456 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.21 -150.01 20.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -86.01 122.61 30.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.445 ' CG2' ' NE2' ' A' ' 119' ' ' HIS . 0.6 OUTLIER -108.19 136.66 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.646 179.672 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 m -148.58 112.35 5.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.559 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -160.74 154.3 22.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 20.7 mp0 -91.6 -27.87 17.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.951 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -133.01 124.84 28.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.626 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.72 149.55 50.64 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.055 0.455 . . . . 0.0 111.132 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -141.9 124.02 15.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.7 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.612 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.7 mmt -105.36 118.81 37.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 111.023 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -109.41 153.11 24.45 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.903 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.11 128.92 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.728 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 104.03 -0.02 44.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.18 116.02 28.48 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 111.253 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -129.68 104.22 7.3 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.612 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 5.2 p90 -130.7 112.42 13.09 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -112.02 101.14 9.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.46 176.95 32.88 Favored Glycine 0 C--N 1.319 -0.391 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.433 ' HE ' HD21 ' A' ' 135' ' ' LEU . 58.1 ttp180 -81.39 108.3 14.88 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 m -88.85 115.76 26.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.878 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.433 HD21 ' HE ' ' A' ' 133' ' ' ARG . 23.1 mt . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.21 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.466 0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.3 109.15 20.95 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 33.0 mt -107.14 117.55 34.36 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.496 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.3 p -49.09 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.766 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.39 -25.98 21.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.699 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -73.06 29.67 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.376 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 44' ' ' ALA . 39.7 tp -121.78 138.92 54.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.209 0.528 . . . . 0.0 110.755 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.8 m -130.97 121.97 26.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.263 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mm -87.26 136.81 22.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.799 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -135.29 139.97 44.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.31 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.79 -100.3 2.65 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.45 116.6 0.71 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.6 p -109.6 148.01 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.778 0.323 . . . . 0.0 110.386 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.24 111.73 15.57 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.37 -157.71 33.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' N ' HG23 ' A' ' 70' ' ' VAL . 61.9 tt0 -169.14 112.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.45 -140.62 15.15 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -81.78 114.78 20.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.842 0.353 . . . . 0.0 110.951 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 tp -105.19 107.24 18.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.027 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -99.05 106.43 18.66 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.499 HD13 ' CG2' ' A' ' 64' ' ' VAL . 9.4 tt -131.96 139.3 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.176 0.512 . . . . 0.0 111.49 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' OG1' ' A' ' 78' ' ' THR . 16.7 p-10 -126.73 50.37 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.17 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.407 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -138.17 -160.12 8.36 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 63' ' ' VAL . 9.2 p -106.39 116.36 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.202 0.525 . . . . 0.0 110.209 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.499 ' CG2' HD13 ' A' ' 60' ' ' ILE . 47.6 t -105.19 119.8 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.208 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -124.08 138.22 54.47 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.449 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.96 -154.73 16.43 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -90.3 128.12 36.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.781 0.324 . . . . 0.0 110.331 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -116.9 123.92 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.296 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -128.33 122.95 32.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.611 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.549 HG22 ' N ' ' A' ' 71' ' ' GLY . 8.4 p -167.7 167.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.455 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.549 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -71.83 -69.64 1.36 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -112.89 119.22 37.23 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 tp -100.86 129.57 46.75 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.599 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.9 m -126.38 108.42 11.21 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.99 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.2 112.68 21.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.347 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -50.6 -161.52 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 CA-C-N 114.912 -1.04 . . . . 0.0 112.935 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -84.78 -23.8 29.03 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.435 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 31.8 p -67.04 -25.82 66.45 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.832 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.463 ' HA3' ' H ' ' A' ' 95' ' ' ARG . . . 56.62 39.49 85.77 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-O 118.586 -1.119 . . . . 0.0 114.957 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 78' ' ' THR . 52.3 m80 -106.29 113.96 27.8 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.559 1.679 . . . . 0.0 110.473 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.2 t -148.43 110.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.051 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.06 107.0 7.96 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.46 -155.33 26.36 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -112.45 137.71 50.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.64 146.16 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.178 0.513 . . . . 0.0 111.185 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 26.7 m-85 -135.29 117.8 15.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.453 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -153.03 176.63 11.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.006 0.432 . . . . 0.0 111.123 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 3.1 mm-40 -93.2 -41.93 9.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.204 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.69 137.31 50.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.547 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.67 132.66 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.14 0.495 . . . . 0.0 111.673 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -131.77 112.34 12.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.119 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.579 HG12 ' H ' ' A' ' 94' ' ' GLY . 61.8 t -101.18 141.87 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.327 0.584 . . . . 0.0 112.55 -178.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -135.48 20.35 3.36 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.579 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.29 -151.45 6.13 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.745 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.463 ' H ' ' HA3' ' A' ' 79' ' ' GLY . 19.2 mtt-85 -107.86 136.64 47.23 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 122.272 1.034 . . . . 0.0 113.324 -177.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.02 129.29 32.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.146 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 97' ' ' VAL . 6.6 p -138.11 108.35 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.46 -102.81 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.3 145.18 21.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.723 0.297 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 tt -140.6 140.25 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.074 0.464 . . . . 0.0 111.236 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.1 m -133.82 108.84 8.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.956 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.7 m -153.89 165.59 35.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.026 0.441 . . . . 0.0 111.21 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 11.0 mptt -72.46 -57.37 4.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.294 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -125.77 134.56 51.69 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.081 0.467 . . . . 0.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.0 m -131.5 148.14 32.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.263 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 mtp85 -137.41 115.3 11.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.922 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 107' ' ' LEU . 8.5 mp -83.41 94.57 8.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.048 0.452 . . . . 0.0 110.333 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 92' ' ' VAL . 2.8 m-85 -94.43 161.51 14.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.224 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.584 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.77 -158.93 5.95 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.177 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -66.97 32.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.127 -0.537 . . . . 0.0 110.308 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.584 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.8 t -45.21 129.67 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.267 0.556 . . . . 0.0 111.698 -177.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -133.33 110.73 10.26 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.311 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.42 120.78 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -133.19 107.12 7.98 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.372 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.57 -155.38 26.1 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -86.47 121.39 28.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.678 0.275 . . . . 0.0 110.581 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 87.2 mt -114.61 141.98 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 110.626 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.1 m -135.84 109.42 7.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.346 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.477 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -156.8 154.75 30.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.145 0.498 . . . . 0.0 111.613 -179.154 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 9.7 mp0 -97.02 -37.77 10.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.63 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -122.21 130.55 53.3 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.644 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.31 131.18 27.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.005 0.431 . . . . 0.0 111.115 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -119.88 126.14 50.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.472 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.609 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.9 mmt -104.58 113.61 27.3 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.941 0.401 . . . . 0.0 110.875 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -102.28 153.44 19.98 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.054 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 71.6 m -42.63 123.78 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 106.95 7.41 33.36 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.83 115.53 28.14 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.696 0.284 . . . . 0.0 111.491 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -130.68 103.57 6.68 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.609 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 3.9 p90 -132.45 114.95 14.93 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -115.26 100.47 8.16 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.26 175.65 33.89 Favored Glycine 0 C--N 1.321 -0.295 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.402 ' CZ ' HD21 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -82.73 108.72 16.3 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.078 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.8 t -92.81 130.49 38.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.064 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 133' ' ' ARG . 34.3 mt . . . . . 0 N--CA 1.464 0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.412 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 41' ' ' LEU . 23.4 p . . . . . 0 N--CA 1.467 0.385 0 CA-C-O 120.766 0.317 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.1 mp -99.26 124.24 44.18 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.452 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.63 119.73 35.88 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.927 0.394 . . . . 0.0 110.361 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 m -53.68 -172.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.616 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.24 -29.89 18.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -68.52 10.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.6 mm? -95.14 131.42 41.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.095 0.474 . . . . 0.0 110.577 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 121.59 22.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.022 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.683 HD12 ' N ' ' A' ' 48' ' ' ILE . 1.5 mp -86.56 133.03 30.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.986 0.422 . . . . 0.0 110.451 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -127.96 125.94 40.48 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.12 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.98 -86.1 1.08 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.05 120.33 0.88 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.28 132.83 39.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.909 0.385 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.8 p -103.28 144.02 31.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.74 -177.89 36.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -170.62 72.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 110.509 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.62 -163.63 36.36 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -73.88 113.55 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.216 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.9 tp -108.75 107.67 18.2 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.47 103.39 13.76 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.0 tt -123.55 131.16 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.182 0.515 . . . . 0.0 111.768 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -116.42 48.46 1.27 Allowed 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.434 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -137.99 -159.87 8.3 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.08 -178.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.9 m -105.68 124.84 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.202 0.525 . . . . 0.0 110.818 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.7 t -105.95 115.7 48.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 48' ' ' ILE . 17.5 mtpp -123.86 123.35 40.26 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.41 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.17 -149.44 18.69 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -90.27 159.11 16.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.781 0.324 . . . . 0.0 110.371 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.16 124.05 10.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -128.23 118.42 23.27 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.529 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.567 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.7 p -167.39 167.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.6 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.567 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -76.14 -66.04 1.92 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -116.09 119.97 37.55 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 74' ' ' THR . 3.1 tt -105.84 117.73 34.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.014 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.577 ' N ' HD23 ' A' ' 73' ' ' LEU . 41.4 m -112.61 116.65 30.52 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.3 t -83.04 111.74 19.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.721 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -49.54 -162.07 0.01 OUTLIER Glycine 0 CA--C 1.526 0.77 0 CA-C-N 114.783 -1.099 . . . . 0.0 113.431 -178.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -84.6 -26.16 28.11 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.1 m -67.0 -25.59 66.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.916 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.5 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.53 38.6 81.58 Favored Glycine 0 C--O 1.223 -0.58 0 CA-C-O 118.667 -1.074 . . . . 0.0 114.185 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -108.64 113.65 26.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.651 1.725 . . . . 0.0 110.073 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.7 t -146.95 113.54 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.477 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -138.27 108.79 6.55 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.566 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.74 -157.36 28.58 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -102.41 115.96 31.64 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 t -100.64 138.56 24.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.998 0.428 . . . . 0.0 111.279 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -136.57 117.91 14.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.614 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.63 178.32 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.3 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -85.71 -56.01 3.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.681 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.86 148.77 51.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.916 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.9 123.7 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.245 0.545 . . . . 0.0 111.399 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.42 107.34 17.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.297 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 94' ' ' GLY . 40.8 t -86.07 139.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.327 0.584 . . . . 0.0 112.282 -178.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -134.48 19.93 3.63 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.567 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.48 -154.91 7.46 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.671 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' A' ' 79' ' ' GLY . 11.2 ptm180 -110.71 134.15 52.72 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.421 1.105 . . . . 0.0 113.546 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -126.34 127.89 70.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.246 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.5 t -133.34 114.32 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.805 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.76 -95.61 0.14 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.72 147.2 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.709 0.29 . . . . 0.0 110.25 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.4 pt -144.56 143.11 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.979 0.419 . . . . 0.0 111.283 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 m -133.28 117.58 17.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.874 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.0 m -157.48 177.26 11.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.238 0.542 . . . . 0.0 111.599 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 3.0 mptp? -86.61 -27.94 23.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.522 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -154.17 136.32 14.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.974 0.416 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 105' ' ' VAL . 3.3 m -133.05 120.03 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.097 0.475 . . . . 0.0 110.877 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -108.41 111.06 22.76 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.708 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.6 mt -81.72 93.93 6.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.25 0.547 . . . . 0.0 111.134 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 20.0 m-85 -95.64 161.51 14.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.173 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.51 -159.72 5.26 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.52 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 t -65.7 32.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.816 -0.692 . . . . 0.0 110.96 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.546 ' H ' ' C ' ' A' ' 109' ' ' GLY . 12.9 t -44.9 128.24 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.324 0.583 . . . . 0.0 111.397 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -131.9 110.01 10.49 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.521 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.486 HG11 HD11 ' A' ' 117' ' ' ILE . 3.1 t -114.88 119.25 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -133.49 102.84 5.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.217 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.38 -154.96 25.95 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -90.72 129.59 36.8 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.852 0.358 . . . . 0.0 110.967 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.591 HD12 ' CZ ' ' A' ' 130' ' ' PHE . 8.6 mt -119.31 143.26 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 54.5 m -145.23 102.93 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.1 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.461 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -149.97 168.43 23.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.662 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -102.72 -28.07 12.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.385 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -131.65 142.85 49.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.102 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.65 148.94 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.176 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.28 133.84 22.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.696 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.1 mtp -115.39 136.91 52.61 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 111.135 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 6.0 mm-40 -125.11 171.02 10.63 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.034 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.5 t -44.11 138.8 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.401 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.8 9.63 84.25 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 125' ' ' GLU . . . -89.27 116.63 27.64 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.966 0.413 . . . . 0.0 110.889 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -128.74 110.86 12.55 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.591 ' CZ ' HD12 ' A' ' 117' ' ' ILE . 0.8 OUTLIER -130.37 109.0 10.41 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.739 -178.796 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -131.47 99.21 4.75 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.07 178.03 34.53 Favored Glycine 0 C--N 1.319 -0.412 0 N-CA-C 108.464 -1.855 . . . . 0.0 108.464 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -81.05 108.49 14.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 p -86.43 149.95 24.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.399 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.847 179.789 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.467 0.382 0 CA-C-O 120.777 0.323 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 mt -139.63 108.72 6.05 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 42' ' ' LEU . 8.6 mp -97.12 130.97 44.32 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.262 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -72.29 -164.54 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -80.08 -34.58 37.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.503 ' C ' HD22 ' A' ' 46' ' ' LEU . 18.1 m-20 -77.54 28.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.78 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 45' ' ' ASP . 3.9 mm? -109.77 118.08 35.57 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.069 0.462 . . . . 0.0 110.091 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.62 121.61 35.2 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.115 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -86.39 144.74 8.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -136.26 140.2 43.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.54 -98.44 1.4 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.41 131.78 2.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.7 m -125.0 133.31 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.766 0.317 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -104.84 169.87 8.2 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.65 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.2 -163.58 20.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -170.76 71.46 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.61 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.8 -146.38 10.54 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -92.68 120.42 33.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.893 0.378 . . . . 0.0 110.539 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.4 tp -119.77 107.21 12.92 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.514 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -104.74 102.14 11.73 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.242 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.5 tt -111.27 137.21 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.254 0.549 . . . . 0.0 111.865 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -127.65 64.26 1.36 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.613 178.78 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.06 -158.87 9.05 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.426 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.56 120.14 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 121.174 0.511 . . . . 0.0 110.448 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.3 t -99.6 124.91 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.975 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -124.62 91.05 3.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.091 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.99 -148.32 20.01 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -107.7 155.63 19.97 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.893 0.377 . . . . 0.0 110.679 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.3 t -140.87 134.69 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.671 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -128.84 118.56 22.94 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.572 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.6 p -167.43 171.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.572 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -73.42 -64.32 2.53 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -113.95 135.81 53.59 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.773 0.32 . . . . 0.0 110.383 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.8 tp -136.4 121.9 19.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.328 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 51.7 m -126.98 123.33 36.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 75' ' ' VAL . 1.1 m -85.93 116.21 28.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.322 0.582 . . . . 0.0 110.56 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.46 -157.88 0.01 OUTLIER Glycine 0 CA--C 1.522 0.513 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.557 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -80.87 -14.84 57.65 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 14.4 p -67.5 -27.22 66.82 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.893 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.72 38.26 63.65 Favored Glycine 0 CA--C 1.521 0.437 0 CA-C-N 115.004 -0.998 . . . . 0.0 114.435 176.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -115.32 114.21 24.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.133 1.466 . . . . 0.0 110.363 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -147.25 114.86 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.457 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.66 107.66 7.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.483 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.77 -155.99 27.03 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.7 p -103.97 115.89 31.27 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 t -98.09 120.61 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.09 0.471 . . . . 0.0 111.354 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -120.39 117.13 26.92 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.624 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.32 178.47 8.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.465 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -94.3 -40.22 10.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.01 138.34 24.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.933 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.01 143.95 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.176 0.512 . . . . 0.0 112.002 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -117.21 118.17 31.57 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.189 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.9 t -96.88 130.56 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.4 ' H ' HG22 ' A' ' 75' ' ' VAL . 94.8 mtt180 -131.19 20.23 4.87 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.79 -150.52 5.87 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.972 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 79' ' ' GLY . 56.4 ttp85 -106.95 129.26 54.79 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 122.027 0.918 . . . . 0.0 112.754 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.7 p -135.85 130.73 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.241 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 97' ' ' VAL . 27.9 m -139.38 130.75 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.409 179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.19 -94.92 0.16 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.32 150.77 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 tt -147.38 132.25 10.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.96 0.41 . . . . 0.0 110.564 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.6 m -133.25 112.31 11.57 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.093 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.6 p -158.72 -179.42 8.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 111.253 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -81.91 -55.53 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.61 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -130.18 143.52 50.83 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.958 0.409 . . . . 0.0 110.736 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -148.8 124.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.995 0.426 . . . . 0.0 110.667 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -109.47 134.84 51.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.832 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 107' ' ' LEU . 10.8 mp -96.38 94.0 7.17 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.823 0.344 . . . . 0.0 111.397 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 27.2 m-85 -96.04 161.14 14.11 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.674 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.568 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 53.63 -153.89 7.92 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.537 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.505 ' O ' HG22 ' A' ' 110' ' ' THR . 18.7 m -65.09 31.88 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 114.882 -0.659 . . . . 0.0 110.85 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.568 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.5 m -45.33 132.34 7.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.997 0.427 . . . . 0.0 110.552 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -146.95 112.1 5.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.312 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.448 ' CG1' HD11 ' A' ' 117' ' ' ILE . 1.9 t -115.71 122.77 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.979 0.419 . . . . 0.0 110.761 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -133.65 111.11 10.35 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.586 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.08 -152.83 24.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -85.8 121.64 28.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.448 HD11 ' CG1' ' A' ' 113' ' ' VAL . 91.6 mt -115.44 142.44 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.137 0.494 . . . . 0.0 110.978 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.0 m -142.42 95.2 2.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.779 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.528 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -136.57 142.72 43.39 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.687 -179.268 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -78.0 -51.52 10.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.771 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -122.03 129.08 52.13 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.492 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 122' ' ' LEU . 0.2 OUTLIER -125.1 148.64 48.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.117 0.484 . . . . 0.0 110.973 -178.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.41 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -134.81 121.93 21.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.501 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.607 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -104.98 128.9 53.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.979 0.418 . . . . 0.0 110.997 -179.195 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -121.99 156.47 33.38 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.773 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 121.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.797 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 109.12 4.88 30.94 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.79 115.45 28.07 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.688 0.28 . . . . 0.0 111.278 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -130.95 103.27 6.45 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 6.0 p90 -131.1 116.45 17.76 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -122.8 100.0 6.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.4 176.24 33.83 Favored Glycine 0 C--N 1.321 -0.294 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 108.29 15.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.2 m -93.52 129.98 39.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.569 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.404 ' C ' HD12 ' A' ' 41' ' ' LEU . 29.9 m . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.967 0.413 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.1 mp -103.28 120.51 40.9 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.34 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 42' ' ' LEU . 10.6 mp -98.17 110.71 23.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' LEU . 9.8 m -48.75 179.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.965 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.09 -31.17 18.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.796 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.28 29.72 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 44' ' ' ALA . 50.6 mt -120.83 139.01 53.75 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.387 0.613 . . . . 0.0 111.262 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.439 ' OG1' ' OE2' ' A' ' 49' ' ' GLU . 4.5 p -132.09 122.99 26.28 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.721 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.7 mm -86.69 137.71 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.852 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 26.8 mp0 -135.41 140.46 44.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.26 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' O ' ' OD1' ' A' ' 67' ' ' ASP . . . 78.62 -82.18 1.32 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.92 138.6 2.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -144.63 148.86 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 110.653 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -109.73 170.97 7.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.122 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.64 -46.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 60.27 87.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.512 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.63 -178.99 32.8 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -93.78 114.65 26.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.755 0.312 . . . . 0.0 110.326 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -135.92 148.5 48.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.455 0.645 . . . . 0.0 111.206 -179.781 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 60' ' ' ILE . 4.3 tp-100 -113.03 115.89 29.06 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.74 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.545 HD13 ' CG2' ' A' ' 64' ' ' VAL . 13.2 tt -115.0 128.85 72.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.414 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' C ' ' OG1' ' A' ' 78' ' ' THR . 35.5 p-10 -117.0 49.63 1.16 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.08 -159.23 8.06 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.8 p -106.52 116.58 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.034 0.445 . . . . 0.0 110.323 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.545 ' CG2' HD13 ' A' ' 60' ' ' ILE . 80.6 t -103.76 115.33 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -124.85 130.85 53.2 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.421 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.57 -169.41 12.91 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.391 -0.683 . . . . 0.0 111.391 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 1.7 p-10 -91.64 108.75 20.12 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.839 0.352 . . . . 0.0 110.51 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.1 p -112.6 142.97 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.515 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -127.7 134.15 49.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.358 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.564 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.3 p -167.28 168.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.816 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.564 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -80.36 -68.41 1.48 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -112.86 119.09 36.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.978 0.418 . . . . 0.0 109.932 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 tp -113.18 126.24 55.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.766 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.5 HG22 HE22 ' A' ' 59' ' ' GLN . 4.0 m -122.89 117.0 24.57 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.4 t -83.47 111.04 19.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.602 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.34 -160.08 0.01 OUTLIER Glycine 0 CA--C 1.527 0.826 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.346 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -84.73 -23.24 29.38 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 34.9 p -66.7 -25.4 66.52 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.657 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.1 39.17 79.54 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 118.715 -1.047 . . . . 0.0 114.417 176.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.68 113.28 26.45 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.4 1.6 . . . . 0.0 110.535 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -148.96 110.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.94 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.27 107.43 5.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.023 0.439 . . . . 0.0 110.378 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.96 -155.59 26.58 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.3 m -100.66 123.63 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.47 121.49 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.15 0.5 . . . . 0.0 110.963 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 10.2 m-85 -113.98 123.63 50.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.728 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.56 160.74 38.47 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.366 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -83.2 -44.38 15.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.117 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.93 138.08 43.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.685 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.4 p -145.55 145.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.177 0.513 . . . . 0.0 111.403 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -133.94 109.8 9.27 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.549 HG12 ' H ' ' A' ' 94' ' ' GLY . 67.0 t -88.92 142.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.288 0.566 . . . . 0.0 112.314 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -137.1 20.23 2.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.549 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.32 -151.18 6.05 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.424 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -107.63 136.68 46.98 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 122.122 0.963 . . . . 0.0 113.055 -177.588 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 96' ' ' VAL . 6.0 p -141.33 125.36 16.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.954 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 97' ' ' VAL . 18.0 m -138.9 130.18 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.44 -95.99 0.16 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.27 138.76 11.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 110.486 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 tt -141.41 138.81 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.016 0.436 . . . . 0.0 110.853 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.8 m -133.32 109.46 9.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.792 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.1 t -146.62 164.37 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.15 0.5 . . . . 0.0 111.268 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -86.89 -35.01 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.502 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -132.96 121.82 23.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.267 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.0 t -126.29 144.15 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -141.49 107.77 5.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.799 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.6 mt -81.19 95.16 6.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.988 0.423 . . . . 0.0 111.139 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 92' ' ' VAL . 3.7 m-85 -94.32 163.01 13.61 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.681 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.554 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 52.6 -160.87 2.68 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.081 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 110' ' ' THR . 2.3 t -65.2 32.23 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.088 0.555 . . . . 0.0 111.134 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.554 ' H ' ' C ' ' A' ' 109' ' ' GLY . 10.7 t -45.12 130.79 7.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.272 0.558 . . . . 0.0 111.735 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -131.48 109.83 10.57 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.658 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -109.86 116.74 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.629 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -133.68 102.65 5.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.1 -148.67 18.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -90.67 115.14 27.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.81 0.338 . . . . 0.0 110.545 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.427 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 0.5 OUTLIER -98.43 142.56 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.029 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.7 m -149.69 119.19 6.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.107 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -177.84 157.8 1.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.954 0.406 . . . . 0.0 110.946 -179.777 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.57 -34.33 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.169 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -121.45 126.08 48.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.118 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -134.24 143.33 47.74 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.436 -179.707 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -135.96 132.21 36.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.175 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.6 mtp -112.47 117.24 31.84 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.142 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -105.31 161.1 14.59 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.983 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.7 t -40.56 135.56 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.7 0.286 . . . . 0.0 110.62 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 86.6 9.34 75.41 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.56 118.39 27.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 111.333 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -127.01 112.79 15.65 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 130' ' ' PHE . 1.6 t80 -132.13 109.2 9.8 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.848 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.89 98.96 4.94 Favored 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.43 177.22 35.18 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -81.9 108.86 15.75 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.2 p -88.8 127.5 35.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.875 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 135' ' ' LEU . 10.5 mp . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.178 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.697 0.285 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 42' ' ' LEU . 2.6 tt -126.94 108.76 11.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.228 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 42' ' ' LEU . 10.8 mp -103.77 124.34 48.72 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.9 p -60.44 -178.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.336 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.92 -20.74 24.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.655 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -75.2 29.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.106 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 44' ' ' ALA . 26.3 mt -125.78 142.87 51.3 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.435 0.636 . . . . 0.0 111.391 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.14 124.31 27.28 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.802 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.07 143.94 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.034 0.445 . . . . 0.0 111.02 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -134.51 140.32 46.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.499 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.99 -68.72 2.25 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.78 142.11 3.45 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -133.25 150.73 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.854 0.359 . . . . 0.0 110.507 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.45 150.67 34.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.406 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' HG13 ' A' ' 70' ' ' VAL . . . -168.66 80.16 0.1 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.07 110.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.678 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 144.39 -161.83 27.94 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -88.06 118.84 27.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.815 0.34 . . . . 0.0 110.214 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -115.24 107.46 15.31 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.359 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -102.91 115.4 30.52 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.7 tt -134.99 144.24 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.931 0.396 . . . . 0.0 111.397 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -125.03 54.18 1.45 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.297 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.21 -160.42 8.3 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.7 p -109.19 112.14 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.508 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.466 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.3 m -106.7 122.3 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -124.63 118.7 27.1 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.348 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.88 -147.79 19.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -105.34 119.82 40.02 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.804 0.335 . . . . 0.0 110.32 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 t -110.1 129.8 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.439 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 70' ' ' VAL . 40.1 ttp85 -127.55 110.97 13.25 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.365 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.578 HG12 ' N ' ' A' ' 71' ' ' GLY . 69.3 t -157.49 163.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.373 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.578 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -70.89 -62.8 3.41 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.28 124.91 48.98 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.758 0.313 . . . . 0.0 110.217 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.557 HD13 ' N ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -111.36 116.18 30.53 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.68 -179.524 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.557 ' N ' HD13 ' A' ' 73' ' ' LEU . 95.2 m -112.01 109.1 18.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.967 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 t -83.56 123.92 39.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.244 0.545 . . . . 0.0 110.788 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.59 -157.95 0.18 Allowed Glycine 0 CA--C 1.525 0.661 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.339 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -83.66 -20.49 33.5 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.0 m -66.95 -26.87 67.04 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 119.138 -1.025 . . . . 0.0 108.685 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.13 38.61 67.33 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 118.773 -1.015 . . . . 0.0 114.584 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.09 113.58 26.21 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.316 1.558 . . . . 0.0 110.736 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -148.64 111.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.284 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -137.59 108.61 6.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.043 0.449 . . . . 0.0 110.553 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.37 -155.72 26.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.2 m -101.26 115.92 31.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.15 117.47 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 111.351 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -113.42 124.73 53.12 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.635 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.28 176.62 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.223 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.85 -45.87 10.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.104 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.13 147.46 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.719 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 90' ' ' VAL . 31.7 m -145.58 120.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.461 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -106.63 106.24 16.67 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.1 m -93.86 146.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.491 0.662 . . . . 0.0 111.966 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -131.82 22.21 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.095 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.35 -151.27 5.96 Favored Glycine 0 CA--C 1.533 1.174 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.555 -177.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLY . 89.2 mtt180 -106.0 133.04 51.36 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.313 1.054 . . . . 0.0 113.709 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.3 t -123.53 108.48 21.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 113.858 -1.519 . . . . 0.0 109.176 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.41 107.63 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.871 0.367 . . . . 0.0 110.341 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.16 -106.13 0.28 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.6 145.56 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.552 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.3 pt -142.99 143.92 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.9 m -133.36 114.47 13.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.979 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -155.84 169.14 25.08 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.294 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -78.97 -35.08 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.14 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -131.64 143.74 50.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.124 0.488 . . . . 0.0 110.945 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 20.9 t -144.85 127.68 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -132.8 122.33 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.684 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 107' ' ' LEU . 11.0 mp -93.08 96.11 9.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.358 0.599 . . . . 0.0 111.602 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -93.82 161.52 14.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.718 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.61 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.83 178.18 6.28 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.805 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.0 p -71.87 27.73 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.61 ' H ' ' C ' ' A' ' 109' ' ' GLY . 6.2 p -54.78 168.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.294 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 2.4 t80 -150.47 140.18 21.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.5 t -134.69 121.8 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 120.922 0.391 . . . . 0.0 110.468 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -133.42 104.21 6.31 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 164.2 -158.65 31.33 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -91.13 120.48 32.12 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.764 0.316 . . . . 0.0 110.623 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.2 mt -116.11 142.37 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 37.8 m -137.56 103.32 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.705 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.481 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -146.31 165.46 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.237 0.542 . . . . 0.0 111.167 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 4.4 mp0 -100.28 -42.04 6.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.393 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -117.88 137.83 52.53 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.455 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.71 149.36 37.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.987 0.423 . . . . 0.0 111.067 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -140.37 147.61 40.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.876 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.508 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 17.3 mmt -129.22 118.8 22.95 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.779 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -108.99 157.61 18.5 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.167 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 126' ' ' THR . 0.0 OUTLIER -43.66 116.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.479 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 115.81 2.1 20.83 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.39 114.65 27.24 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.633 -0.334 . . . . 0.0 111.15 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 65.2 m-85 -130.67 101.76 5.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.508 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 14.5 p90 -132.56 121.82 23.85 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -119.02 100.03 7.1 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.32 176.25 33.77 Favored Glycine 0 C--N 1.319 -0.415 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -82.49 108.16 15.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.6 t -96.29 119.12 34.2 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.547 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.723 -179.826 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.069 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 42' ' ' LEU . 16.1 tp -133.21 109.32 9.35 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.374 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 42' ' ' LEU . 8.5 mp -98.58 118.13 34.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.306 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.4 p -54.72 179.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.799 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -84.34 -31.8 24.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.376 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.85 29.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.364 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.9 tp -131.18 142.3 50.18 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.555 0.693 . . . . 0.0 111.433 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 47' ' ' THR . 13.6 t -138.89 125.06 20.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.583 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -86.6 147.29 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.961 0.41 . . . . 0.0 110.708 -179.242 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 48' ' ' ILE . 85.2 mt-10 -133.8 140.31 46.84 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.534 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 67' ' ' ASP . . . 90.71 -106.13 3.33 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.45 113.32 0.56 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.6 p -93.72 136.72 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.755 0.312 . . . . 0.0 110.658 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 t -103.15 165.34 11.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.56 -175.25 41.14 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -172.1 57.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.511 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.01 -140.99 4.22 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -94.57 113.15 24.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.039 0.447 . . . . 0.0 110.514 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -108.22 107.64 18.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.721 -179.732 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -103.89 101.94 11.74 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 64' ' ' VAL . 10.8 tt -113.4 132.53 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.268 0.556 . . . . 0.0 111.736 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -124.91 51.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.736 178.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -143.32 -159.36 7.93 Favored Glycine 0 C--O 1.243 0.708 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.102 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.7 m -106.37 122.27 59.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.041 0.448 . . . . 0.0 109.914 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' A' ' 60' ' ' ILE . 52.7 t -97.39 123.29 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' H ' HG13 ' A' ' 48' ' ' ILE . 4.2 tppt? -125.08 90.88 3.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.448 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.13 -140.81 9.1 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 7.3 p-10 -113.12 150.64 31.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.545 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.17 127.12 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.795 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -128.53 114.99 17.44 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.679 HG22 ' N ' ' A' ' 71' ' ' GLY . 12.5 p -167.33 175.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.546 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.679 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -73.34 -69.12 1.44 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -112.56 138.26 49.59 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.4 tp -124.05 118.73 27.62 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.001 0.429 . . . . 0.0 110.696 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.57 117.22 32.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.582 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.448 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.2 t -83.4 108.28 15.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.098 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -49.54 -163.92 0.01 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.036 -0.983 . . . . 0.0 113.348 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -84.85 -23.91 28.82 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.41 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 46.0 p -66.47 -25.82 66.89 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 119.228 -0.989 . . . . 0.0 108.578 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.62 38.78 72.97 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 114.974 -1.012 . . . . 0.0 114.044 176.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -111.62 113.22 25.47 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.152 1.476 . . . . 0.0 110.374 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.8 t -147.71 115.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.7 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.86 107.58 6.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.371 . . . . 0.0 110.058 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.7 -155.72 26.76 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -96.93 145.93 25.44 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -137.25 114.8 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.015 0.436 . . . . 0.0 111.392 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -117.39 120.19 37.4 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.685 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.09 172.44 15.86 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.121 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -86.17 -37.72 18.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.12 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.45 149.75 34.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.603 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.6 132.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.147 0.499 . . . . 0.0 111.787 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -112.9 128.89 56.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.935 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.9 t -109.32 138.31 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 121.151 0.501 . . . . 0.0 112.001 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -137.85 19.75 2.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.448 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.59 -152.13 6.39 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.805 -177.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 83.1 mtt180 -108.67 136.27 48.54 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 122.141 0.972 . . . . 0.0 113.255 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 p -136.45 122.24 28.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.641 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.66 114.33 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.936 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.47 -101.13 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.48 141.5 5.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.646 0.26 . . . . 0.0 110.302 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.7 pt -142.42 146.18 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.986 0.422 . . . . 0.0 111.142 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.8 m -132.99 120.57 21.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.956 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -156.58 163.17 39.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.351 . . . . 0.0 111.138 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -85.49 -24.81 27.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -139.71 122.09 16.06 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.528 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.567 HG21 ' ND1' ' A' ' 119' ' ' HIS . 12.1 t -121.47 131.44 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.503 ' NH2' ' OH ' ' A' ' 108' ' ' TYR . 36.7 mtp180 -132.61 107.28 8.33 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.873 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.7 mt -88.32 96.29 10.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.109 0.48 . . . . 0.0 111.621 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.506 ' O ' ' O ' ' A' ' 92' ' ' VAL . 54.1 m-85 -94.2 162.81 13.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.527 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.601 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 59.47 -165.04 10.59 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.254 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 m -68.46 31.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.104 -0.548 . . . . 0.0 109.909 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.601 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.5 p -45.61 138.31 4.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.387 0.613 . . . . 0.0 111.627 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.541 ' CZ ' ' OD1' ' A' ' 114' ' ' ASP . 64.1 t80 -136.69 128.45 29.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.864 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.94 118.2 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.032 0.444 . . . . 0.0 110.904 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.541 ' OD1' ' CZ ' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -133.39 106.44 7.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.297 179.775 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.78 -144.57 9.88 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -101.86 102.73 13.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.777 0.323 . . . . 0.0 110.494 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.3 tt -108.12 134.06 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.378 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 78.7 m -133.14 135.88 45.45 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.445 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.567 ' ND1' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -172.01 166.89 6.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.983 0.421 . . . . 0.0 110.861 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -97.43 -34.87 10.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.193 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -128.08 124.54 37.27 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.985 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.63 148.94 47.61 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.043 0.449 . . . . 0.0 110.481 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.79 118.92 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.762 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.4 OUTLIER -105.62 137.17 43.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.597 -179.562 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -124.32 158.93 31.44 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.261 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 126' ' ' THR . 6.5 t -40.83 125.72 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.72 4.39 39.67 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.68 116.4 28.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.734 0.302 . . . . 0.0 111.628 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 23.5 m-85 -129.6 102.51 6.4 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 9.3 p90 -132.31 119.56 20.93 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -178.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -120.71 100.14 6.94 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.56 176.87 33.78 Favored Glycine 0 C--N 1.321 -0.279 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -82.19 109.3 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.4 t -89.22 117.91 28.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.816 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 N--CA 1.462 0.172 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 179.821 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.807 0.337 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -127.96 126.57 41.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 mt -107.02 124.26 49.38 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 p -61.23 -167.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.79 -26.84 21.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.001 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.525 ' C ' HD22 ' A' ' 46' ' ' LEU . 15.2 m-20 -74.83 26.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.347 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.525 HD22 ' C ' ' A' ' 45' ' ' ASP . 4.0 mm? -112.35 132.76 54.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.208 0.528 . . . . 0.0 110.5 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.02 120.99 19.8 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.094 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.735 HD12 ' N ' ' A' ' 48' ' ' ILE . 1.5 mp -86.45 135.43 25.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.975 0.417 . . . . 0.0 110.476 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -135.59 130.22 34.12 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.055 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.57 -70.29 2.16 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.33 135.98 2.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.1 p -137.52 144.07 32.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.1 p -102.77 108.04 19.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.932 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.35 -151.93 19.55 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 70' ' ' VAL . 79.9 tt0 -172.38 144.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.65 -146.48 50.35 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -82.82 121.41 26.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.857 0.36 . . . . 0.0 110.692 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.8 tp -120.49 107.65 13.13 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.535 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? -94.42 122.06 36.61 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.457 HD13 ' CG2' ' A' ' 64' ' ' VAL . 10.0 tt -135.4 130.96 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.174 0.512 . . . . 0.0 111.559 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 3.3 p30 -120.47 49.62 1.42 Allowed 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.13 -157.89 7.61 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.714 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 63' ' ' VAL . 2.8 m -105.29 124.2 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.155 -0.523 . . . . 0.0 109.925 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 60' ' ' ILE . 82.7 t -111.93 110.21 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.75 0.309 . . . . 0.0 111.423 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 48' ' ' ILE . 33.7 mtmt -125.18 106.59 10.01 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.424 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.29 -163.84 28.39 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -101.26 106.41 17.6 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.4 p -111.7 142.62 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.016 0.436 . . . . 0.0 111.173 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -128.4 136.04 50.35 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.204 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.9 p -167.69 171.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.573 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.568 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -79.84 -69.39 1.4 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.5 mtt85 -114.29 118.84 35.04 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.5 tp -104.32 131.73 51.34 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.047 0.451 . . . . 0.0 110.847 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -124.5 113.53 18.23 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.578 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.7 t -83.19 107.31 14.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.523 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.44 -160.66 0.01 OUTLIER Glycine 0 CA--C 1.526 0.738 0 CA-C-N 114.94 -1.027 . . . . 0.0 113.013 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -84.87 -20.62 30.53 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.2 m -66.66 -26.38 67.02 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 119.199 -1.0 . . . . 0.0 109.013 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.11 37.99 65.32 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.104 -0.953 . . . . 0.0 114.244 176.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -111.92 112.9 24.88 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.075 1.438 . . . . 0.0 110.285 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -149.14 110.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.098 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -137.0 106.97 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.16 -154.59 25.67 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 m -105.8 121.59 44.35 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.959 0.409 . . . . 0.0 110.2 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.6 p -122.32 130.06 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -121.25 133.08 55.14 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.929 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.92 167.52 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.467 ' N ' ' OE2' ' A' ' 88' ' ' GLU . 1.5 mm-40 -86.68 -41.52 14.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.095 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.34 143.12 39.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.675 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.63 138.36 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.186 0.517 . . . . 0.0 111.77 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -117.83 129.52 55.71 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.103 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.464 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -107.38 137.72 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.15 0.5 . . . . 0.0 111.852 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -136.2 19.7 3.19 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . -160.35 -152.06 6.42 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.543 -178.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 79' ' ' GLY . 70.5 mtp180 -107.58 135.63 48.71 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.113 0.959 . . . . 0.0 113.36 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.37 125.54 27.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.299 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.44 125.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.999 0.428 . . . . 0.0 111.067 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.75 -93.21 0.13 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.68 126.02 2.9 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.642 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 pp -126.73 142.08 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.225 0.535 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.3 m -133.81 118.13 17.66 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.211 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -164.52 147.42 8.89 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.958 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -74.51 -17.84 60.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.588 ' NE2' ' N ' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -145.06 123.9 12.67 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.779 -179.642 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.588 ' N ' ' NE2' ' A' ' 104' ' ' GLN . 2.8 m -140.53 137.82 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.962 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -128.15 118.03 22.65 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.97 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 107' ' ' LEU . 9.1 mp -87.56 94.91 9.85 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.239 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 92' ' ' VAL . 9.6 m-85 -94.85 162.01 13.93 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.11 178.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.608 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 66.23 175.04 6.02 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.958 178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.0 p -70.68 28.27 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.608 ' H ' ' C ' ' A' ' 109' ' ' GLY . 9.1 t -59.67 170.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.74 -177.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 5.3 t80 -146.73 142.67 28.05 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.451 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -130.76 121.73 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 120.986 0.422 . . . . 0.0 110.532 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -133.84 122.51 23.33 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.68 -157.08 27.15 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -90.05 123.56 34.03 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 73.5 mt -118.39 126.3 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.108 0.48 . . . . 0.0 111.288 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.5 m -122.78 99.44 6.39 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.24 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.535 ' H ' ' HD1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -140.07 153.56 46.8 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 111.237 -178.789 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.43 -37.86 10.74 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.767 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -132.13 131.14 42.01 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.886 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.22 149.64 44.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.146 0.498 . . . . 0.0 111.331 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -131.27 132.79 44.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.447 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.478 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 24.2 mmt -108.95 122.06 46.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.988 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -113.39 150.14 33.1 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.985 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.6 t -39.51 135.18 1.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.83 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.77 1.7 58.67 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.63 115.4 28.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.688 0.28 . . . . 0.0 111.039 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' PHE . . . . . 0.551 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 42.9 m-85 -129.92 103.28 6.69 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.478 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 28.1 p90 -132.1 125.62 31.79 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -126.46 100.39 6.23 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 176.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.66 176.67 33.13 Favored Glycine 0 C--N 1.318 -0.445 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -82.08 108.31 15.46 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.0 t -95.45 125.3 39.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.643 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 N--CA 1.464 0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.469 179.858 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.837 0.351 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.74 134.94 34.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.222 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.66 135.46 53.91 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.8 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.3 m -64.39 -163.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.047 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.523 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.47 -41.2 13.7 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.191 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.5 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -71.89 29.74 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.704 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -113.42 128.43 56.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.336 0.588 . . . . 0.0 110.926 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.0 p -128.38 108.19 10.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.085 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.1 mm -96.06 146.87 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.112 0.482 . . . . 0.0 111.128 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' GLY . 50.9 mt-10 -102.4 94.49 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.474 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.577 ' C ' ' H ' ' A' ' 67' ' ' ASP . . . -35.01 108.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 67' ' ' ASP . . . 173.45 13.59 0.02 OUTLIER Glycine 0 CA--C 1.519 0.313 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.422 ' H ' ' H ' ' A' ' 51' ' ' GLY . 15.6 m -104.45 151.4 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.27 -0.465 . . . . 0.0 110.827 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.7 m -135.34 136.47 41.55 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . 165.57 105.6 0.19 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 54' ' ' GLY . 37.5 mt-10 -51.53 -170.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.792 0.33 . . . . 0.0 111.026 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.95 175.06 39.55 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.49 129.0 34.82 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.984 0.421 . . . . 0.0 110.564 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 tp -134.49 108.25 8.01 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -97.95 134.81 40.55 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 60' ' ' ILE . 16.0 tt -135.71 126.62 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.473 . . . . 0.0 111.306 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -113.49 46.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.818 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.439 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -146.19 -160.2 8.59 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 63' ' ' VAL . 9.1 p -107.49 126.71 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 115.637 -0.281 . . . . 0.0 110.664 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 64' ' ' VAL . 6.3 p -135.74 122.29 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 120.895 0.379 . . . . 0.0 111.21 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 50' ' ' GLY . 52.0 pttt -127.04 144.08 51.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.286 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 84' ' ' SER . . . 126.06 -135.68 9.22 Favored Glycine 0 N--CA 1.47 0.9 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' A' ' 50' ' ' GLY . 18.9 t0 -113.52 113.04 24.57 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.125 0.488 . . . . 0.0 110.855 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.6 t -117.0 128.07 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.668 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.7 ttm-85 -127.14 126.03 42.21 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.915 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.666 HG22 ' N ' ' A' ' 71' ' ' GLY . 14.8 p -162.89 169.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.134 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.666 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -73.14 -72.04 1.02 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -114.67 120.51 40.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.242 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 tp -104.3 129.6 52.15 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.982 0.42 . . . . 0.0 110.729 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.0 m -123.52 112.68 17.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.547 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -82.63 108.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.248 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.8 -159.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 CA-C-N 114.881 -1.054 . . . . 0.0 113.147 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -84.85 -23.95 28.79 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 51.5 m -66.89 -26.31 66.81 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.169 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.0 39.07 78.12 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-O 118.675 -1.07 . . . . 0.0 114.925 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 78' ' ' THR . 5.8 m80 -111.28 112.96 25.1 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.439 1.62 . . . . 0.0 110.46 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -148.57 110.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.778 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 65' ' ' LYS . 26.0 tt0 -138.17 107.09 5.97 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.056 0.455 . . . . 0.0 110.464 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.16 -155.23 26.3 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 109.849 -1.301 . . . . 0.0 109.849 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 66' ' ' GLY . 3.1 m -104.34 129.99 52.2 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.8 p -138.64 146.49 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.09 0.471 . . . . 0.0 111.326 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -136.1 128.99 31.17 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.937 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.406 ' O ' ' OG ' ' A' ' 102' ' ' SER . . . -158.94 140.1 12.99 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.833 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 88' ' ' GLU . 1.2 mm-40 -54.89 -50.44 68.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.222 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.05 146.95 52.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.987 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -153.1 135.29 6.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.13 0.49 . . . . 0.0 111.616 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -119.82 114.96 22.9 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.139 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 94' ' ' GLY . 2.4 t -88.97 136.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.124 0.488 . . . . 0.0 112.072 -178.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -135.01 19.29 3.45 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . -160.12 -152.65 6.61 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.406 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 79' ' ' GLY . 60.7 mtp180 -108.04 134.6 50.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 122.188 0.994 . . . . 0.0 113.083 -177.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 96' ' ' VAL . 3.3 p -139.74 119.52 13.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.422 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 97' ' ' VAL . 18.6 m -134.9 127.09 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.778 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.17 -87.54 0.14 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -166.31 130.79 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.309 . . . . 0.0 110.399 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.47 143.23 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.1 0.476 . . . . 0.0 110.807 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.2 m -132.93 129.67 38.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.112 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 87' ' ' ALA . 17.2 t -154.77 158.63 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.617 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.515 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 2.0 mptp? -80.36 -34.08 36.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.288 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -143.88 133.12 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.865 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.52 149.33 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.072 0.463 . . . . 0.0 111.256 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -140.58 115.79 9.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.425 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 107' ' ' LEU . 7.6 mp -77.81 96.87 5.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.024 0.44 . . . . 0.0 111.438 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 13.6 m-85 -93.1 161.35 14.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.215 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.578 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 67.59 176.3 9.26 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.573 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 m -73.26 28.02 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.578 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.0 t -54.84 162.78 1.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.984 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -134.7 150.86 50.65 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.317 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.41 115.54 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.841 0.353 . . . . 0.0 110.428 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -133.93 106.73 7.42 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.948 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.64 -168.94 34.97 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.76 115.44 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.0 tt -117.81 140.45 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.058 0.456 . . . . 0.0 110.944 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.3 m -136.81 122.06 19.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.685 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.566 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -158.98 167.74 28.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 111.109 -179.188 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -94.3 -44.5 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.174 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -126.11 128.06 46.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.463 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.485 HD22 ' CD2' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -128.47 147.63 50.68 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.16 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.22 153.63 49.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.138 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.405 ' O ' ' OE2' ' A' ' 125' ' ' GLU . 4.4 mtp -131.05 132.73 45.12 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.622 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 124' ' ' MET . 17.9 mm-40 -122.11 163.15 19.98 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.439 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.0 m -43.76 112.67 0.42 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.183 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 109.61 6.59 28.72 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.39 117.27 28.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.965 0.412 . . . . 0.0 110.779 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -127.89 114.45 17.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -132.16 108.68 9.43 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -128.52 98.57 5.07 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 175.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.87 178.06 34.34 Favored Glycine 0 C--N 1.317 -0.505 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -81.35 109.0 15.44 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 t -87.75 135.47 33.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.8 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.133 179.774 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.772 0.32 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.02 108.67 6.6 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.444 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 42' ' ' LEU . 10.4 mp -99.71 128.72 45.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.182 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 44' ' ' ALA . 47.0 t -65.69 -168.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.731 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -82.54 -28.66 30.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.454 ' C ' HD22 ' A' ' 46' ' ' LEU . 39.0 m-20 -69.46 10.17 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.507 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -102.86 130.1 49.77 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.509 0.671 . . . . 0.0 110.902 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 47' ' ' THR . 6.0 t -138.55 118.8 13.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.322 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 48' ' ' ILE . 1.4 mp -86.89 133.49 29.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -134.99 138.79 44.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.335 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.09 -86.65 1.39 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.81 120.93 0.89 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.21 132.31 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.96 0.41 . . . . 0.0 110.519 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 m -112.54 138.96 48.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.378 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.6 -164.08 30.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -170.01 123.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.03 -172.41 20.66 Favored Glycine 0 N--CA 1.464 0.566 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.7 112.94 13.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 0.0 110.275 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.3 tp -109.08 106.97 17.12 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -94.35 110.92 22.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 64' ' ' VAL . 3.5 tt -128.52 125.51 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.359 0.599 . . . . 0.0 111.693 -178.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 78' ' ' THR . 0.9 OUTLIER -110.08 52.47 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.21 -159.42 7.91 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.498 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.5 t -105.76 125.66 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.124 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 60' ' ' ILE . 96.3 t -110.36 121.73 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 120.909 0.385 . . . . 0.0 111.184 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -124.53 144.16 50.27 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.613 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.89 -160.84 26.55 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -79.92 150.7 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.821 0.343 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 86' ' ' TYR . 2.4 t -132.84 108.9 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.824 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 70' ' ' VAL . 77.8 mtm180 -107.4 110.36 22.32 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.206 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.598 HG12 ' N ' ' A' ' 71' ' ' GLY . 77.8 t -158.04 164.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.256 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.598 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -75.22 -68.06 1.62 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mtm-85 -116.97 118.63 32.94 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.8 tp -102.81 122.65 44.93 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 110.844 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -115.11 115.78 27.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.574 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.8 t -82.6 108.81 15.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.973 0.416 . . . . 0.0 110.442 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -49.48 -161.1 0.01 OUTLIER Glycine 0 CA--C 1.527 0.842 0 CA-C-N 114.68 -1.145 . . . . 0.0 113.595 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -84.46 -23.31 29.99 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 67.3 m -67.03 -25.19 66.16 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.23 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.5 38.51 80.83 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-O 118.882 -0.955 . . . . 0.0 114.432 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -112.94 113.48 25.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.048 1.424 . . . . 0.0 110.231 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -147.59 112.91 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.311 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -136.96 108.56 6.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.531 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.71 -156.43 27.6 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 m -101.74 116.46 32.78 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.11 111.4 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.395 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 68' ' ' VAL . 58.2 m-85 -114.04 117.78 32.26 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.69 178.49 6.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.031 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -80.2 -56.37 4.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.545 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.54 145.1 49.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.856 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.524 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.7 m -138.7 123.42 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 121.132 0.491 . . . . 0.0 111.197 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -104.69 118.02 35.54 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.431 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.505 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.5 t -98.12 138.78 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 111.803 -178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.8 mtm105 -137.05 19.48 3.0 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.494 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -160.11 -150.92 6.0 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.431 -177.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -106.87 134.23 50.33 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 122.279 1.037 . . . . 0.0 113.404 -177.421 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.9 t -123.24 122.44 65.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 113.854 -1.521 . . . . 0.0 109.011 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.3 107.67 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.825 0.345 . . . . 0.0 110.573 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 155.8 -103.35 0.23 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -157.41 144.51 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.443 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.488 HG23 HD13 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -147.34 135.8 15.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.675 -179.715 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.4 m -133.34 131.66 40.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.208 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.2 m -165.11 158.03 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -70.33 -17.81 63.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -146.92 144.59 29.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.975 0.417 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.3 t -144.44 137.13 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.292 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -141.58 106.85 5.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.608 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mt -86.1 96.14 9.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.036 0.446 . . . . 0.0 111.706 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 92' ' ' VAL . 50.6 m-85 -94.02 163.02 13.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.552 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.604 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 63.04 -167.49 21.87 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.227 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.2 p -67.9 31.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.185 -0.507 . . . . 0.0 109.805 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.604 ' H ' ' C ' ' A' ' 109' ' ' GLY . 5.2 p -45.43 143.42 1.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.573 0.701 . . . . 0.0 112.032 -177.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -144.86 127.06 15.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.732 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.97 125.47 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 120.964 0.411 . . . . 0.0 111.032 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -132.96 105.21 6.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.5 -145.02 11.23 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.515 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -92.03 123.99 35.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.843 0.354 . . . . 0.0 110.631 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.488 HD13 HG23 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -116.7 139.46 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.83 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.2 m -148.37 136.37 20.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.951 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.538 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.2 OUTLIER 178.85 162.8 0.76 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.43 . . . . 0.0 110.788 -179.693 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -93.38 -36.54 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.694 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -128.38 139.57 52.31 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.583 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -152.53 149.62 28.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.088 0.47 . . . . 0.0 111.057 -179.149 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.446 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -144.05 128.19 17.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.695 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.568 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -104.81 119.03 38.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.245 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.465 ' N ' ' OE1' ' A' ' 125' ' ' GLU . 22.0 mp0 -103.94 157.93 16.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.284 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 t -41.39 144.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.731 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.37 0.19 80.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.42 115.88 28.4 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.169 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -129.52 102.04 6.21 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 12.8 p90 -132.99 122.78 24.73 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.88 99.82 7.17 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.86 175.36 34.41 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -83.39 109.14 17.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.2 t -91.07 112.99 25.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.0 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.9 mt . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.414 179.739 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.889 0.376 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -140.51 128.27 21.74 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.957 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 34.5 mt -100.31 136.95 39.41 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.3 m -63.95 -170.45 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.97 -25.63 23.07 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.015 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.5 ' C ' HD22 ' A' ' 46' ' ' LEU . 2.8 m-20 -70.98 16.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.682 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -109.08 130.33 55.48 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.324 0.583 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.53 114.45 14.89 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.02 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.5 mm -86.82 146.04 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -135.05 138.85 44.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.367 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.28 -67.6 3.59 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.41 137.11 2.73 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -129.72 151.43 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.456 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 p -107.62 110.11 21.91 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.777 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.22 -146.08 19.48 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.479 ' N ' HG23 ' A' ' 70' ' ' VAL . 77.9 tt0 -173.25 156.44 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 0.0 110.624 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.86 -147.29 29.86 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.93 135.39 34.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.456 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.497 ' C ' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -142.12 108.16 5.2 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.556 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.478 ' N ' HD13 ' A' ' 58' ' ' LEU . 1.3 tm0? -97.53 101.93 13.57 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 60' ' ' ILE . 12.1 tt -98.85 116.44 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.321 -179.128 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 2.4 p30 -105.67 51.93 0.74 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.87 -159.79 8.47 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.5 p -108.5 112.01 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.059 0.457 . . . . 0.0 110.586 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.63 124.81 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.48 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -124.25 128.81 49.72 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.504 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.25 -159.57 16.83 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -89.83 128.49 36.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.813 0.34 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -116.88 126.56 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.559 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -123.59 118.9 28.38 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.466 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.628 HG22 ' N ' ' A' ' 71' ' ' GLY . 14.2 p -167.28 169.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.679 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.628 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -64.89 -77.41 0.25 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -114.84 118.77 34.46 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tt -109.28 125.64 52.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.686 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.8 p -127.58 124.77 38.94 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.648 0.261 . . . . 0.0 110.57 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 1.0 OUTLIER -83.35 114.96 24.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 121.29 0.567 . . . . 0.0 109.887 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.9 -158.04 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.978 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -77.17 -21.24 54.33 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.052 -0.574 . . . . 0.0 112.465 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.8 m -67.0 -27.11 67.16 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 119.451 -0.899 . . . . 0.0 108.84 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.85 37.03 61.03 Favored Glycine 0 CA--C 1.524 0.634 0 CA-C-O 118.674 -1.07 . . . . 0.0 114.606 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -110.3 112.64 24.73 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.643 1.722 . . . . 0.0 110.281 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -149.52 115.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.735 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -139.04 107.03 5.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.014 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.09 -155.31 26.39 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.439 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 10.4 t -102.0 119.01 38.1 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.67 123.54 57.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.956 0.407 . . . . 0.0 111.24 -179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.439 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 96.2 m-85 -121.79 118.03 28.02 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.872 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.07 167.88 17.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.784 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' OE1' ' A' ' 104' ' ' GLN . 5.6 mm-40 -80.21 -35.47 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.169 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.53 153.66 46.25 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.066 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.7 m -149.35 125.78 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.787 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -114.87 116.09 28.01 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.192 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.475 ' O ' ' O ' ' A' ' 108' ' ' TYR . 5.9 t -96.08 134.27 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.216 0.532 . . . . 0.0 112.426 -178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.438 ' H ' HG22 ' A' ' 75' ' ' VAL . 64.5 mtt-85 -136.97 18.97 3.0 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.03 -151.66 6.25 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.807 -177.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 74.5 mtp180 -107.69 134.46 50.64 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.938 0.875 . . . . 0.0 113.125 -177.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.4 p -138.13 130.45 39.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.31 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 97' ' ' VAL . 5.7 p -138.12 115.34 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.008 0.432 . . . . 0.0 110.979 -179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.91 -87.31 0.11 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.69 144.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 100' ' ' ILE . 6.2 pt -142.73 147.01 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 111.282 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.2 m -132.84 121.13 22.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.207 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 p -162.7 155.53 19.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.693 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -74.71 -31.99 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 88' ' ' GLU . 24.3 mp0 -125.99 132.89 51.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.337 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.44 135.03 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -138.14 111.48 8.01 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.773 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.3 93.88 9.27 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.338 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.475 ' O ' ' O ' ' A' ' 92' ' ' VAL . 32.3 m-85 -96.49 161.08 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.483 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.572 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 60.79 -162.7 21.04 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.286 178.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.4 p -67.57 32.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.041 -0.579 . . . . 0.0 110.31 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.572 ' H ' ' C ' ' A' ' 109' ' ' GLY . 15.3 t -45.14 129.29 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.281 0.562 . . . . 0.0 111.54 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -132.93 112.15 11.63 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.395 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.62 122.98 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.023 0.44 . . . . 0.0 110.425 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -132.72 107.93 8.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.3 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 151.07 -142.54 9.62 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.462 ' OD1' HD11 ' A' ' 135' ' ' LEU . 28.9 t0 -93.97 130.49 40.06 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.772 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.4 133.96 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.895 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.0 m -143.45 118.14 9.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.004 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.541 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -166.58 155.6 10.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.091 0.472 . . . . 0.0 110.953 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -87.34 -43.29 12.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.608 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -117.76 136.29 53.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.584 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.14 149.45 41.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.128 0.489 . . . . 0.0 110.833 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -144.96 121.08 10.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.762 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 124' ' ' MET . 1.1 mmt -104.87 134.85 47.3 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 110.817 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 36.7 mp0 -125.11 164.99 19.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.483 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.5 m -48.97 140.39 9.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.376 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 92.73 -0.03 69.74 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.37 116.0 28.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -129.52 103.56 6.95 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 130' ' ' PHE . 9.2 p90 -130.89 114.86 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.406 ' N ' ' CD ' ' A' ' 131' ' ' GLN . 16.9 mp0 -114.46 100.23 8.15 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.37 176.06 33.86 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -82.43 108.83 16.14 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 34.9 t -86.81 117.95 25.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.721 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.462 HD11 ' OD1' ' A' ' 116' ' ' ASP . 26.7 mt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.343 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.782 0.325 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 42' ' ' LEU . 7.2 tp -140.68 111.99 7.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.58 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 42' ' ' LEU . 10.3 mp -101.66 120.75 40.82 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.277 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -52.61 179.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.722 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.51 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.6 -34.98 17.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -72.79 30.89 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 44' ' ' ALA . 5.5 tp -128.9 143.12 50.8 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.328 0.585 . . . . 0.0 111.106 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 t -133.68 135.83 44.34 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.011 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.56 145.24 7.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.17 0.509 . . . . 0.0 111.171 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -135.21 137.8 43.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.17 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 -109.11 2.97 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.04 123.53 1.31 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 m -106.24 149.99 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.771 0.32 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.6 t -142.72 145.8 33.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.497 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.551 ' O ' HG23 ' A' ' 70' ' ' VAL . . . 173.0 97.53 0.11 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -55.93 139.5 46.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.716 0.294 . . . . 0.0 110.618 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.75 -163.35 23.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.15 116.47 29.06 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 tp -112.43 108.61 17.81 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.826 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.71 102.21 13.26 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' GLY . 16.0 tt -109.91 135.07 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.096 0.474 . . . . 0.0 111.597 -178.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 78' ' ' THR . 28.4 t70 -125.14 47.12 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.436 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -142.15 -158.83 7.69 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.288 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.1 p -106.34 138.33 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.287 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.76 125.16 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 120.868 0.366 . . . . 0.0 111.305 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -124.81 91.33 3.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.322 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.02 -155.93 26.74 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.29 155.68 17.38 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.795 0.331 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.5 t -137.85 136.63 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -127.99 119.42 25.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.185 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.676 HG22 ' N ' ' A' ' 71' ' ' GLY . 13.5 p -168.06 171.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.877 0.37 . . . . 0.0 111.111 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.676 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -76.04 -66.67 1.82 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -114.67 122.78 47.51 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 74' ' ' THR . 2.1 tt -111.27 110.17 20.52 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.881 0.372 . . . . 0.0 110.611 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.506 ' N ' HD23 ' A' ' 73' ' ' LEU . 11.2 m -103.94 118.88 37.72 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.285 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.5 t -83.77 106.68 14.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.209 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.29 -162.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 CA-C-N 115.151 -0.932 . . . . 0.0 113.011 -178.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.496 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -84.12 -19.52 34.07 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.445 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.496 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 62.8 m -67.17 -26.76 66.8 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.857 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.23 37.56 65.06 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 114.963 -1.017 . . . . 0.0 114.172 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -112.38 113.67 25.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.818 1.309 . . . . 0.0 109.784 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -147.58 117.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.548 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -137.85 108.33 6.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.114 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.28 -155.8 26.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.404 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 8.2 t -104.74 118.24 36.07 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.9 t -97.58 126.06 50.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.054 0.454 . . . . 0.0 110.977 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.404 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 72.8 m-85 -127.49 117.22 21.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.829 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.56 178.41 7.38 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.798 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -91.62 -34.15 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.134 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.85 143.8 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.705 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -138.52 130.61 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.161 0.505 . . . . 0.0 111.452 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.486 ' CD ' HH21 ' A' ' 106' ' ' ARG . 20.5 mt-10 -115.43 106.39 13.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.273 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.509 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -88.39 135.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.439 . . . . 0.0 112.081 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.89 18.97 3.02 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.431 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -160.38 -153.26 6.86 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.74 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.3 mtp180 -108.59 139.7 43.0 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 -177.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.65 136.4 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.042 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.82 119.17 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.423 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.78 -99.61 0.19 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.89 148.25 15.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 pt -143.24 139.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.126 0.489 . . . . 0.0 111.256 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.6 m -133.2 117.36 17.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.579 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.6 t -159.68 166.77 29.89 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.481 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -73.65 -47.59 38.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.753 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -128.08 142.96 51.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.884 0.373 . . . . 0.0 110.806 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.576 ' O ' HG23 ' A' ' 105' ' ' VAL . 13.5 m -133.46 120.59 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.486 HH21 ' CD ' ' A' ' 91' ' ' GLU . 56.8 mtm-85 -118.45 107.89 14.36 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.526 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.57 96.57 10.14 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.134 0.492 . . . . 0.0 111.445 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.509 ' O ' ' O ' ' A' ' 92' ' ' VAL . 27.2 m-85 -93.39 162.78 13.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.177 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.604 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.12 177.8 5.2 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 110' ' ' THR . 2.6 p -71.06 28.84 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.604 ' H ' ' C ' ' A' ' 109' ' ' GLY . 74.2 m -48.34 158.15 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.853 -177.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -140.27 132.67 28.44 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.558 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.46 124.11 24.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -134.9 116.69 15.03 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.667 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.95 -154.08 25.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.13 134.4 35.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.696 0.284 . . . . 0.0 110.408 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.41 142.26 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 120.968 0.414 . . . . 0.0 110.445 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 43.4 p -149.71 89.3 1.61 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.877 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.776 ' CE1' HD11 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -140.09 160.83 39.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.7 -179.488 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 10.8 mp0 -100.73 -32.74 10.57 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.764 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.49 ' C ' HD22 ' A' ' 122' ' ' LEU . 3.5 mp0 -116.72 126.59 53.37 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.905 0.384 . . . . 0.0 110.274 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.776 HD11 ' CE1' ' A' ' 119' ' ' HIS . 4.2 mm? -104.34 134.15 48.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.386 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.408 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -151.55 128.6 11.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.778 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -143.39 139.61 30.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.73 -179.441 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -120.78 172.87 7.58 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.013 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.3 m -42.43 122.89 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.622 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 105.24 9.57 33.62 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.45 116.97 27.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.041 0.448 . . . . 0.0 111.225 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.42 104.74 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 130' ' ' PHE . 1.2 t80 -131.62 109.03 9.93 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.018 0.437 . . . . 0.0 111.997 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -131.7 100.27 5.06 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.46 178.19 33.92 Favored Glycine 0 C--N 1.317 -0.477 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -80.54 108.31 14.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.4 p -97.44 124.74 41.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.185 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 135' ' ' LEU . 10.4 mp . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.032 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.85 0.357 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.5 m -136.64 17.82 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.251 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -155.38 53.43 0.61 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 p -55.99 161.07 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.439 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 42' ' ' LEU . 1.9 tt -141.86 110.91 6.28 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.581 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.525 ' N ' HD23 ' A' ' 41' ' ' LEU . 10.1 mp -100.05 113.17 25.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' HD12 ' A' ' 46' ' ' LEU . 70.1 m -52.16 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.36 -28.46 22.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -72.96 24.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.322 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 44' ' ' ALA . 45.4 mt -122.88 142.75 50.44 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.361 0.6 . . . . 0.0 111.026 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.29 135.03 38.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.4 mm -87.59 144.79 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.749 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.28 138.36 43.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.47 -95.12 0.51 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.41 141.29 6.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -135.66 145.78 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -109.79 169.34 8.78 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.466 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.32 -179.6 48.76 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -144.66 149.71 36.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.53 -155.25 27.97 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -88.88 134.0 34.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.961 0.41 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -119.08 107.23 13.24 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.551 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.426 HE22 HG22 ' A' ' 74' ' ' THR . 69.9 tp60 -92.36 113.75 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 60' ' ' ILE . 16.1 tt -129.38 127.84 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.173 0.511 . . . . 0.0 111.823 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 42' ' ' LEU . 10.3 p-10 -121.81 48.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -138.0 -159.63 8.21 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.402 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 m -106.35 134.87 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.333 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.67 120.33 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 120.921 0.391 . . . . 0.0 110.742 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.84 90.79 3.31 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.3 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.7 -139.65 8.4 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.91 158.86 17.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.5 t -145.75 130.61 12.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -128.73 121.88 29.42 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.881 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.622 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.3 p -167.73 173.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.058 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.622 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -78.96 -68.62 1.47 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.661 -0.975 . . . . 0.0 110.661 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -112.19 142.34 44.78 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 74' ' ' THR . 2.1 tt -135.14 114.17 12.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 111.418 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.575 ' N ' HD23 ' A' ' 73' ' ' LEU . 16.8 m -106.34 118.45 36.69 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.713 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.8 t -83.23 108.4 15.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.295 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.53 -161.52 0.01 OUTLIER Glycine 0 CA--C 1.526 0.753 0 CA-C-N 115.177 -0.92 . . . . 0.0 113.093 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -84.45 -20.83 31.14 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.4 m -66.86 -27.2 67.34 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.802 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.92 38.99 66.56 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-O 118.862 -0.965 . . . . 0.0 114.069 175.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -115.58 114.53 25.06 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.156 1.478 . . . . 0.0 110.89 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.88 113.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.396 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -131.64 107.94 9.17 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.347 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.79 -155.86 26.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -113.85 115.73 28.19 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.4 p -109.56 130.69 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.189 0.518 . . . . 0.0 111.282 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -121.01 118.08 28.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.488 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.22 176.65 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.76 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 88' ' ' GLU . 1.3 mm-40 -91.42 -36.43 13.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.734 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.72 144.81 25.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.1 m -147.1 140.78 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 121.169 0.509 . . . . 0.0 111.708 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -117.09 110.52 18.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.022 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -88.15 134.9 26.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.547 . . . . 0.0 112.032 -178.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -135.19 18.66 3.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.436 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -160.58 -154.11 7.23 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.121 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 59.8 mtt-85 -108.21 133.47 52.41 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.15 0.976 . . . . 0.0 113.36 -177.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.03 108.66 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.656 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.438 HG12 ' CB ' ' A' ' 114' ' ' ASP . 35.9 m -117.9 128.3 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.973 0.416 . . . . 0.0 110.839 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.34 -92.69 0.13 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.12 136.16 6.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 110.389 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 tt -131.47 139.58 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.2 m -133.42 106.56 7.55 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.75 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.0 m -162.14 139.29 8.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 0.0 110.689 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -68.58 -23.52 64.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -126.12 127.43 45.76 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.716 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -146.88 136.58 16.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.61 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -140.37 115.01 9.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.793 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 107' ' ' LEU . 10.7 mp -84.35 95.5 8.76 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 111.144 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 92' ' ' VAL . 20.0 m-85 -94.21 161.58 14.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.724 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.606 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.6 178.59 6.26 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.891 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.0 p -70.82 27.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.606 ' H ' ' C ' ' A' ' 109' ' ' GLY . 17.1 p -52.05 169.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.678 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.519 ' CD2' ' O ' ' A' ' 129' ' ' PHE . 6.6 t80 -149.43 145.93 27.19 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.231 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 t -138.76 125.67 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.928 0.394 . . . . 0.0 110.717 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.438 ' CB ' HG12 ' A' ' 97' ' ' VAL . 5.8 t0 -133.94 108.31 8.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.681 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.16 -159.89 29.71 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -88.37 117.29 27.19 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.4 mt -105.41 142.44 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.196 0.522 . . . . 0.0 110.888 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.3 m -144.47 102.12 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.587 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.461 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -147.44 143.81 28.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.02 0.438 . . . . 0.0 111.337 -179.247 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.515 ' OE2' ' CD1' ' A' ' 137' ' ' PHE . 46.0 mm-40 -82.5 -45.18 15.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.822 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -117.05 124.83 50.23 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.628 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -135.91 149.32 48.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.185 0.517 . . . . 0.0 111.182 -179.064 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -139.51 130.46 26.29 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.889 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.4 mmt -105.1 123.59 48.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -115.23 147.21 40.64 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.976 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -39.74 118.87 0.91 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.937 0.398 . . . . 0.0 110.839 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 116.08 3.99 18.99 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.66 115.04 27.72 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.828 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.519 ' O ' ' CD2' ' A' ' 112' ' ' TYR . 79.0 m-85 -130.37 102.41 6.17 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 18.4 p90 -132.61 123.3 26.16 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -120.42 99.73 6.74 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.53 176.36 33.9 Favored Glycine 0 C--N 1.319 -0.411 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -83.47 108.44 16.62 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.0 m -98.74 140.77 32.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.616 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 51.3 mt -118.06 109.3 16.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.109 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -87.76 141.37 28.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.27 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.515 ' CD1' ' OE2' ' A' ' 120' ' ' GLU . 69.0 t80 -80.83 109.4 15.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.475 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -81.57 -74.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.602 -179.759 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.2 mttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.778 0.323 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.71 96.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.674 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.96 84.92 2.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.422 ' OG ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -64.54 162.33 15.65 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 42' ' ' LEU . 12.4 tp -137.81 110.06 7.36 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.837 0.351 . . . . 0.0 111.071 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 42' ' ' LEU . 9.6 mp -101.93 123.1 45.27 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.138 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 m -58.82 -172.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.53 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.84 -25.99 20.75 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.791 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.47 29.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.39 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.53 ' H ' ' C ' ' A' ' 44' ' ' ALA . 75.9 mt -126.04 128.46 47.45 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.318 0.58 . . . . 0.0 111.147 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.42 109.72 13.07 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.464 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.7 mt -86.15 136.8 22.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.037 0.446 . . . . 0.0 111.232 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -135.54 139.46 43.96 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.351 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.13 -110.91 4.0 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.33 101.86 0.21 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.46 147.87 4.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.51 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.9 p -123.01 151.24 42.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.457 ' H ' HH21 ' A' ' 69' ' ' ARG . . . -169.77 -177.93 40.53 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -143.54 -173.38 3.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.807 0.337 . . . . 0.0 110.483 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 53.99 -141.08 33.85 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -106.11 139.83 40.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.814 0.34 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.462 HD11 HD13 ' A' ' 42' ' ' LEU . 51.1 tp -132.57 110.47 10.49 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -95.76 103.14 15.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.703 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.4 tt -108.81 139.61 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.302 0.572 . . . . 0.0 111.645 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' OG1' ' A' ' 78' ' ' THR . 36.5 t70 -129.61 53.64 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.862 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -149.17 -159.81 8.79 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.86 136.98 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 110.568 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.482 ' O ' HG23 ' A' ' 64' ' ' VAL . 16.9 m -135.39 125.8 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 121.01 0.433 . . . . 0.0 110.852 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -124.57 110.25 14.22 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.77 -156.63 25.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.61 140.62 30.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.952 0.406 . . . . 0.0 110.245 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -128.09 112.28 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.505 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HE ' ' C ' ' A' ' 69' ' ' ARG . 1.2 tmm_? -112.32 116.0 29.67 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.44 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.581 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.4 p -165.04 169.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.522 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.581 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -71.43 -67.79 1.78 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -124.7 119.83 30.07 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.352 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.9 tp -103.61 121.87 43.81 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.67 118.25 34.51 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.622 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.51 109.13 16.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.051 0.453 . . . . 0.0 110.859 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.62 -157.5 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 CA-C-N 114.701 -1.136 . . . . 0.0 113.075 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 15.4 mt-10 -84.37 -23.59 30.06 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -178.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.444 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 7.4 p -66.98 -26.62 66.9 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 119.044 -1.062 . . . . 0.0 108.954 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.67 39.19 75.02 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.032 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 78' ' ' THR . 63.4 m80 -108.42 111.45 23.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.364 1.582 . . . . 0.0 110.766 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -149.6 112.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.768 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -138.97 106.76 5.64 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.202 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.87 -155.39 26.45 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.4 p -99.11 116.06 30.46 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.44 134.11 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.66 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -132.31 118.05 18.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.053 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.47 178.03 7.05 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.223 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -94.57 -42.3 8.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.531 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.01 139.16 51.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.47 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.98 111.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -105.59 107.51 18.54 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.471 HG12 ' H ' ' A' ' 94' ' ' GLY . 2.6 t -87.81 135.56 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.276 0.56 . . . . 0.0 112.336 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -135.98 20.27 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.471 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.0 -153.67 6.91 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.183 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 27.5 mtm180 -108.02 140.03 41.78 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.367 1.08 . . . . 0.0 113.716 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.26 128.19 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 114.025 -1.443 . . . . 0.0 108.973 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.8 m -138.94 116.16 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 111.347 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.97 -89.29 0.12 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -166.81 147.12 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.2 pt -146.49 141.91 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 111.098 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.8 m -132.89 118.5 19.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.852 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.1 m -158.58 164.48 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.185 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.522 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 11.0 mptt -75.89 -47.14 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.559 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -134.3 134.23 41.64 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.734 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.14 132.77 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -123.52 132.54 53.93 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.812 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 107' ' ' LEU . 8.9 mp -89.73 96.39 10.67 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.338 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 92' ' ' VAL . 16.4 m-85 -93.64 161.77 14.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.636 178.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.626 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 66.47 176.8 7.57 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.866 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -70.23 28.17 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.626 ' H ' ' C ' ' A' ' 109' ' ' GLY . 20.6 t -52.68 169.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.9 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.435 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 5.1 t80 -149.43 146.43 27.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.046 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.55 121.86 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 120.902 0.382 . . . . 0.0 110.674 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -133.32 108.75 8.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.67 -160.0 29.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.33 122.03 31.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.721 0.296 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.74 133.83 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.043 0.449 . . . . 0.0 110.704 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.6 m -131.03 97.14 4.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.514 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.477 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -144.89 161.66 38.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.999 0.428 . . . . 0.0 111.114 -178.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -99.43 -45.37 5.86 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.728 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -118.07 134.43 54.99 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.783 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.0 149.76 31.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 111.025 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.51 145.24 44.87 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.848 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.546 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 21.7 mmt -117.4 113.06 21.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -102.9 156.58 17.56 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.37 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 126' ' ' THR . 7.0 t -44.58 121.38 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 112.25 3.36 26.03 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.59 115.56 28.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.772 0.32 . . . . 0.0 111.366 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 48.5 m-85 -129.52 101.79 6.1 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.546 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 21.6 p90 -132.6 120.54 21.94 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -120.6 100.42 7.12 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.8 176.28 33.36 Favored Glycine 0 C--N 1.318 -0.431 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -82.48 108.8 16.16 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 25.1 t -85.26 146.79 26.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.01 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.465 ' C ' HD23 ' A' ' 135' ' ' LEU . 2.5 tt -129.82 109.99 11.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.546 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.423 ' N ' HD23 ' A' ' 135' ' ' LEU . 18.1 mtpp -92.52 115.06 27.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.272 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -50.21 121.06 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.694 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -88.99 150.1 22.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.614 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.43 ' C ' ' CD ' ' A' ' 139' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.677 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 mttm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.879 0.371 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.55 -62.89 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.501 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.87 129.34 54.05 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.601 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.445 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.2 m -130.4 121.72 26.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.273 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.4 mp -102.15 120.95 41.29 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.348 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 50.2 mt -116.37 116.1 27.1 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.314 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.4 p -61.93 -168.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -84.26 -26.01 28.95 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.454 ' C ' HD22 ' A' ' 46' ' ' LEU . 69.1 m-20 -68.67 7.48 0.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.0 mm? -101.89 131.51 48.21 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.322 0.582 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 109.74 9.34 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.925 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.8 mt -86.51 142.37 13.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.944 0.402 . . . . 0.0 110.783 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -136.07 140.61 43.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.593 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.1 -90.78 1.52 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.92 119.29 0.54 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -101.79 151.24 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.612 0.244 . . . . 0.0 110.371 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 128.27 24.82 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.869 0.366 . . . . 0.0 110.556 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.25 109.09 0.24 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -53.85 174.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.754 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.12 -173.56 23.42 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -89.94 134.47 34.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.9 tp -130.46 106.77 8.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.91 0.386 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.92 101.92 13.48 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 76' ' ' GLY . 12.4 tt -113.34 130.9 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.337 0.589 . . . . 0.0 112.334 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.462 ' O ' ' OG1' ' A' ' 78' ' ' THR . 5.5 p-10 -122.78 60.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.92 -158.35 8.77 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.44 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.4 t -105.54 113.08 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.464 -0.368 . . . . 0.0 110.631 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.5 p -115.33 121.08 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 121.058 0.456 . . . . 0.0 110.204 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -124.47 132.23 53.49 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.51 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.85 -157.68 18.3 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.4 118.67 31.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.835 0.35 . . . . 0.0 110.611 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 t -109.67 120.21 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.679 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -118.16 111.9 19.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 71' ' ' GLY . 75.7 t -154.33 161.76 2.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 110.617 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.557 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -70.54 -49.81 29.05 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.42 ' H ' HG12 ' A' ' 70' ' ' VAL . 28.3 mtt180 -134.14 119.04 18.38 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.67 113.87 26.52 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.3 m -105.44 120.62 42.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.713 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.95 108.16 15.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.08 0.467 . . . . 0.0 110.586 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -53.53 -158.47 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 CA-C-N 114.904 -1.044 . . . . 0.0 113.216 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -84.88 -23.66 28.86 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 7.6 m -66.86 -25.96 66.66 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.137 -1.025 . . . . 0.0 109.087 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.59 38.58 71.93 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-O 118.768 -1.018 . . . . 0.0 114.523 175.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -112.61 113.28 25.35 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.335 1.567 . . . . 0.0 110.474 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.6 t -146.65 115.68 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.52 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -139.34 108.02 5.92 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.607 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.89 -155.53 26.59 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -102.15 115.91 31.55 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.8 t -103.15 134.91 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 121.051 0.453 . . . . 0.0 111.33 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -133.87 117.84 17.27 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.572 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.32 177.29 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.15 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -94.26 -43.4 8.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.08 140.65 50.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.277 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.45 111.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.585 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -103.87 105.68 15.95 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' A' ' 108' ' ' TYR . 51.7 t -88.56 136.49 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.205 0.526 . . . . 0.0 111.648 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -136.15 20.92 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.02 -151.07 5.99 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.676 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' GLY . 34.9 mtp180 -107.79 133.89 51.53 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.934 0.873 . . . . 0.0 112.991 -177.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 p -139.77 126.83 24.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.723 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 97' ' ' VAL . 33.4 m -138.75 127.57 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.613 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.28 -96.97 0.17 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.76 133.52 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.06 138.26 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.618 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.5 m -133.21 139.42 46.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.373 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.466 ' OG ' ' CG2' ' A' ' 105' ' ' VAL . 7.1 p -172.15 172.36 4.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 11.7 mptt -82.58 -42.55 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.555 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -125.91 126.26 44.11 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.449 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.466 ' CG2' ' OG ' ' A' ' 102' ' ' SER . 92.3 t -132.88 128.96 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -131.02 119.21 21.7 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.908 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.579 HD12 ' N ' ' A' ' 107' ' ' LEU . 9.2 mp -86.57 95.76 9.86 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.182 0.515 . . . . 0.0 110.843 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.52 ' CD2' ' OE2' ' A' ' 125' ' ' GLU . 16.4 m-85 -93.95 162.65 13.81 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.289 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.602 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.17 -159.55 4.92 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.269 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 t -67.36 31.53 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.219 -0.49 . . . . 0.0 110.217 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.602 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.1 p -45.49 134.54 6.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.402 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 129' ' ' PHE . 49.3 t80 -138.03 116.75 12.23 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.072 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -121.45 120.56 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 120.985 0.422 . . . . 0.0 110.71 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -132.94 105.68 7.24 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.67 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.45 -154.12 25.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -92.29 116.17 28.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.652 0.263 . . . . 0.0 110.468 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.6 tt -120.16 134.39 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.336 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.2 m -131.96 132.86 43.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.509 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.498 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -170.28 168.82 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.552 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -100.42 -36.55 9.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -126.44 133.14 51.31 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.0 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.23 149.28 44.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.416 . . . . 0.0 110.851 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.13 137.39 44.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.778 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.613 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.3 mmt -113.59 124.82 53.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.52 ' OE2' ' CD2' ' A' ' 108' ' ' TYR . 24.3 tt0 -120.44 151.91 38.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.164 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -40.06 137.02 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.848 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 93.92 1.68 65.2 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.24 116.27 28.69 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.66 0.267 . . . . 0.0 111.307 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.415 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 27.2 m-85 -130.43 103.5 6.7 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.613 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 3.6 p90 -132.74 119.22 20.05 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -120.06 100.17 7.04 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.95 176.81 33.31 Favored Glycine 0 C--N 1.32 -0.328 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -81.76 109.34 16.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.4 t -89.96 112.98 24.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.755 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.38 109.56 21.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.443 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.408 ' CD ' ' H ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -92.67 141.34 28.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.222 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -81.93 118.54 23.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.612 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -162.62 94.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.448 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 38' ' ' VAL . 76.9 mttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.8 0.333 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 37' ' ' LYS . 96.5 t 54.59 108.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.67 98.06 6.81 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.9 m -84.71 162.31 19.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.716 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.5 tp -135.74 126.74 27.8 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.348 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -118.1 136.36 53.63 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.455 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -64.61 -178.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.52 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.55 -18.06 27.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.09 25.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.187 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 44' ' ' ALA . 12.7 mt -128.02 142.05 51.34 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.391 0.615 . . . . 0.0 110.951 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.2 p -136.61 128.19 28.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.18 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.2 mm -86.7 136.6 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.862 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -134.87 139.35 44.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.302 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.55 -100.14 2.63 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.89 116.31 0.7 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.51 151.18 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 t -145.17 130.99 19.08 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.606 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . 176.01 93.57 0.09 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 54' ' ' GLY . 19.6 mm-40 -48.37 178.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.766 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.85 -175.98 40.62 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -90.23 116.05 27.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.524 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 tp -116.52 112.05 20.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.27 112.48 24.46 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.557 HD13 ' CG2' ' A' ' 64' ' ' VAL . 11.5 tt -118.36 133.5 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.129 0.49 . . . . 0.0 111.621 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 78' ' ' THR . 25.0 t70 -117.27 50.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.065 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.77 -158.26 7.47 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.29 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 t -105.9 111.22 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 114.813 -0.693 . . . . 0.0 110.393 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.557 ' CG2' HD13 ' A' ' 60' ' ' ILE . 76.7 t -96.7 117.55 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.667 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -124.24 129.27 50.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.363 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.75 -150.95 18.03 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.48 150.45 22.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.851 0.358 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 t -134.56 125.1 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.423 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -128.4 119.69 25.47 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.673 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.586 HG22 ' N ' ' A' ' 71' ' ' GLY . 5.2 p -167.99 163.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.662 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.586 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -68.7 -50.36 36.95 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.417 ' H ' HG22 ' A' ' 70' ' ' VAL . 37.3 mtt85 -136.27 118.63 15.7 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.898 0.38 . . . . 0.0 110.061 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.0 tp -102.84 115.4 30.52 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.622 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.1 m -110.95 115.82 30.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.869 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.3 t -82.91 110.52 18.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.117 0.484 . . . . 0.0 110.7 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -51.62 -158.47 0.01 OUTLIER Glycine 0 CA--C 1.526 0.75 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.767 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 45.5 mt-10 -85.0 -18.31 34.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.552 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 93.6 m -67.27 -26.38 66.52 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.33 -0.948 . . . . 0.0 108.904 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.01 37.99 64.41 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 114.972 -1.013 . . . . 0.0 113.839 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -114.73 113.63 24.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.978 1.389 . . . . 0.0 110.712 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.4 t -147.87 111.48 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.515 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -133.15 107.45 8.2 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.855 0.359 . . . . 0.0 110.205 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.99 -155.6 26.67 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 p -101.54 127.11 48.39 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.8 t -112.15 134.24 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.917 0.389 . . . . 0.0 111.527 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -130.54 118.71 21.47 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.657 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.44 166.49 14.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.19 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -87.1 -32.57 19.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.728 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.67 140.57 48.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.554 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.2 111.27 4.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.043 0.449 . . . . 0.0 111.247 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -110.47 114.96 28.79 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.24 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.617 HG12 ' H ' ' A' ' 94' ' ' GLY . 18.1 t -103.92 136.45 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.159 0.504 . . . . 0.0 111.893 -178.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -129.97 20.06 5.46 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.617 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.65 -151.64 6.22 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.401 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 79' ' ' GLY . 64.6 mtm180 -107.01 134.48 50.1 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.289 1.042 . . . . 0.0 113.348 -177.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 p -138.03 128.54 36.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 113.994 -1.457 . . . . 0.0 109.199 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 97' ' ' VAL . 27.8 m -138.63 125.79 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 110.969 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.49 -99.03 0.19 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.78 137.33 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 pt -142.36 143.11 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.811 0.338 . . . . 0.0 111.184 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 101' ' ' THR . 12.9 t -133.3 121.11 21.94 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.237 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.4 t -160.18 152.61 20.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 11.0 mptt -67.92 -33.37 74.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.738 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -134.09 138.06 45.03 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.448 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.3 t -138.61 128.15 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -127.96 110.53 12.62 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.835 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.817 HD22 ' N ' ' A' ' 107' ' ' LEU . 1.0 OUTLIER -87.91 96.85 10.64 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.119 0.485 . . . . 0.0 111.058 -179.144 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 14.4 m-85 -93.56 162.5 13.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.103 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.628 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 68.2 176.12 10.43 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.615 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -71.15 28.22 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.628 ' H ' ' C ' ' A' ' 109' ' ' GLY . 38.3 p -49.33 157.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.133 -0.939 . . . . 0.0 113.307 -177.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -132.94 128.31 36.2 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.921 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 117' ' ' ILE . 57.6 t -123.68 121.53 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.989 0.424 . . . . 0.0 110.901 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -134.16 107.61 7.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.99 -163.75 34.99 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -97.75 117.43 32.04 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.793 0.33 . . . . 0.0 110.197 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.569 HD12 ' CZ ' ' A' ' 130' ' ' PHE . 7.6 mt -102.53 142.56 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.189 0.519 . . . . 0.0 110.971 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.9 m -133.45 86.99 2.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.709 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.516 ' CE1' HD22 ' A' ' 122' ' ' LEU . 0.0 OUTLIER -137.99 161.7 36.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.038 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -99.95 -28.56 13.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.04 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -130.13 129.41 43.49 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.184 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.516 HD22 ' CE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -125.16 149.12 48.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.38 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.25 120.81 12.51 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.207 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.0 mtp -104.99 126.84 52.49 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 110.713 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 13.3 mp0 -117.15 162.78 17.3 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.322 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.2 p -41.49 122.25 1.88 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.469 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 97.18 9.27 55.88 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.34 116.1 24.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 111.021 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -129.0 106.91 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 117' ' ' ILE . 2.0 t80 -131.56 108.74 9.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -125.34 99.12 5.92 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.99 177.89 34.52 Favored Glycine 0 C--N 1.32 -0.346 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -81.44 108.48 15.08 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 t -91.75 129.82 37.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.532 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.6 mt -106.83 110.03 22.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -85.8 136.0 33.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.326 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -91.08 134.11 34.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.409 ' HG2' ' H ' ' A' ' 138' ' ' GLN . 6.8 pt20 -80.58 82.47 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.535 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.766 0.317 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.3 m -74.94 -16.98 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.251 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.65 35.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.279 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -153.69 159.06 41.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.629 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -135.45 143.14 45.74 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.309 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 mt -119.82 123.71 44.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.5 p -52.52 -179.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.057 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.36 -37.71 14.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.928 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 p-10 -71.49 29.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.801 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.4 tp -121.15 141.26 50.99 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.243 0.544 . . . . 0.0 111.106 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.6 m -133.2 132.29 41.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.933 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.695 HD12 ' N ' ' A' ' 48' ' ' ILE . 1.5 mp -86.47 142.43 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.621 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -135.65 140.24 44.38 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.924 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.65 -107.13 2.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.43 128.23 1.97 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 52' ' ' VAL . 11.7 p -124.3 127.66 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.907 0.384 . . . . 0.0 110.663 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 t -105.25 155.99 18.54 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.64 -162.84 16.45 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -163.84 156.33 17.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.45 -155.28 32.25 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -88.58 135.06 33.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 110.463 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 tp -135.73 111.84 9.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -88.65 101.53 14.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.981 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.1 tp -100.63 104.23 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 121.153 0.501 . . . . 0.0 110.584 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 78' ' ' THR . 31.9 t70 -105.87 41.76 1.35 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 80' ' ' HIS . . . -138.61 -160.13 8.31 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.464 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.7 p -107.32 119.9 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.184 0.516 . . . . 0.0 110.448 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -95.41 118.97 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 48' ' ' ILE . 22.7 tptp -122.78 104.14 9.1 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.46 -145.39 16.35 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 6.1 t70 -108.05 148.55 29.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.515 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.459 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 10.6 p -146.66 135.4 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.645 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -127.15 132.99 50.42 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.332 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.634 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.8 p -168.02 174.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.525 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.634 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -76.46 -73.69 1.0 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -113.66 119.57 37.9 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.415 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -102.15 122.85 44.95 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.964 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.4 m -116.05 115.41 26.06 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.841 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.7 t -83.24 107.15 14.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.025 0.441 . . . . 0.0 110.847 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -53.12 -158.81 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.507 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -84.9 -17.29 38.32 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.431 HG22 ' ND1' ' A' ' 80' ' ' HIS . 34.6 m -67.35 -26.88 66.7 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.987 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.75 38.12 63.41 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 114.969 -1.014 . . . . 0.0 114.301 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.431 ' ND1' HG22 ' A' ' 78' ' ' THR . 34.6 m170 -116.03 114.18 24.23 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.991 1.396 . . . . 0.0 110.399 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.9 t -147.77 111.12 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.974 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -139.04 109.48 6.54 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.048 0.452 . . . . 0.0 111.085 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.63 -155.78 26.9 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -100.78 115.71 30.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.48 133.25 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 110.985 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -133.39 117.46 17.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.637 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.3 175.85 11.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 110.932 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.66 -43.43 11.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.308 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.3 146.42 38.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.764 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.498 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.3 m -146.16 127.32 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.029 0.442 . . . . 0.0 111.477 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -108.92 122.85 48.09 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 94' ' ' GLY . 3.6 t -103.83 136.49 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.331 0.586 . . . . 0.0 112.155 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -135.12 19.82 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.537 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.47 -152.09 6.36 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.23 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -107.99 137.34 46.15 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.03 125.01 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-N 113.661 -1.609 . . . . 0.0 108.968 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.18 108.95 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 110.439 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.62 -94.74 0.14 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -169.0 140.12 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 pt -143.89 149.22 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.002 0.43 . . . . 0.0 111.608 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.9 m -132.03 116.92 17.7 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.283 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.2 p -152.56 147.57 26.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -76.08 -21.91 56.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -147.13 135.33 21.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.144 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.406 HG23 HG23 ' A' ' 90' ' ' VAL . 3.5 p -148.91 146.21 17.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.22 0.533 . . . . 0.0 111.152 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -138.59 117.08 12.06 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.245 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.3 96.76 9.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.067 0.461 . . . . 0.0 111.883 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 92' ' ' VAL . 16.4 m-85 -93.43 161.36 14.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.555 178.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.59 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 68.88 175.92 11.61 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.606 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.9 p -71.26 28.26 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.182 0.515 . . . . 0.0 109.89 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.59 ' H ' ' C ' ' A' ' 109' ' ' GLY . 20.9 p -49.5 158.43 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.403 -0.817 . . . . 0.0 113.145 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -140.59 109.56 6.08 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.628 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.0 t -112.8 116.44 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.067 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.433 ' OD2' ' O ' ' A' ' 131' ' ' GLN . 3.2 t70 -133.78 127.71 33.27 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.548 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 146.28 -172.12 26.96 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -75.91 104.27 6.37 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 17.2 tt -109.79 142.31 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.038 0.447 . . . . 0.0 111.377 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.2 m -132.47 121.36 23.25 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.407 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 155.08 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.717 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 1.1 mp0 -96.95 -46.67 6.12 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.361 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -118.26 128.22 54.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.306 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.405 ' N ' HD23 ' A' ' 122' ' ' LEU . 0.2 OUTLIER -138.15 140.24 39.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.078 0.466 . . . . 0.0 111.0 -179.25 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -126.32 151.11 47.99 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.73 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.1 mtp -132.85 112.74 12.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.755 0.312 . . . . 0.0 110.843 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 5.6 mp0 -101.32 170.62 8.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.176 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.0 t -44.9 129.54 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 91.9 9.24 62.67 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.99 116.71 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.109 0.48 . . . . 0.0 110.788 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -128.62 119.23 24.34 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 130' ' ' PHE . 40.3 t80 -131.96 111.89 11.93 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.433 ' O ' ' OD2' ' A' ' 114' ' ' ASP . 70.7 mm-40 -128.46 97.6 4.77 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 174.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.49 176.67 35.39 Favored Glycine 0 C--N 1.321 -0.26 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.459 HH11 HD11 ' A' ' 135' ' ' LEU . 77.1 ttt-85 -83.19 109.56 17.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.4 t -86.44 126.04 34.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.165 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.475 ' N ' HD12 ' A' ' 135' ' ' LEU . 8.5 mp -95.62 129.0 42.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.841 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -82.1 129.66 34.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.693 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 137' ' ' PHE . 23.4 p90 -63.62 137.58 58.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.43 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -154.9 138.47 16.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.56 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' NZ ' ' CB ' ' A' ' 37' ' ' LYS . 2.9 ttmp? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.783 0.325 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 39' ' ' ALA . 7.2 m -79.81 -36.75 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.536 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' HG23 ' A' ' 38' ' ' VAL . . . -111.3 154.82 23.96 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.596 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' HD12 ' A' ' 41' ' ' LEU . 74.1 m -146.79 121.64 9.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.438 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.3 mp -101.02 109.95 21.91 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 42' ' ' LEU . 9.4 mp -93.47 119.75 32.92 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.278 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.9 m -51.07 169.15 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.599 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -86.67 -24.0 25.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -74.94 27.48 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.979 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 44' ' ' ALA . 33.0 mt -126.69 145.57 50.53 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 121.384 0.611 . . . . 0.0 110.986 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.448 HG22 ' CG1' ' A' ' 63' ' ' VAL . 11.1 p -130.28 133.49 46.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.635 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.451 ' O ' ' O ' ' A' ' 65' ' ' LYS . 19.5 mm -86.48 135.08 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.792 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -134.75 130.97 37.01 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.0 -108.14 3.44 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.96 118.78 0.86 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.09 149.54 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.595 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.59 149.37 52.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 70' ' ' VAL . . . -178.77 64.85 0.08 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -42.31 118.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.657 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.504 ' H ' ' H ' ' A' ' 71' ' ' GLY . . . 139.6 -166.53 25.55 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -79.41 113.38 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.395 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.2 tp -118.02 107.56 14.18 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.623 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' A' ' 61' ' ' ASP . 1.1 tm0? -98.52 118.24 34.77 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 62' ' ' GLY . 10.7 tt -127.92 130.56 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.18 0.514 . . . . 0.0 111.487 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -119.19 48.71 1.44 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.831 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -138.07 -159.42 8.13 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.194 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.448 ' CG1' HG22 ' A' ' 47' ' ' THR . 3.4 p -106.71 125.73 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.519 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -100.18 117.77 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.014 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.3 tppt? -124.65 91.04 3.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.312 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.64 -140.78 9.21 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 11.8 t0 -110.53 152.44 26.38 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.751 0.31 . . . . 0.0 110.683 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.519 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 56.8 t -144.03 126.05 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.451 ' O ' HG23 ' A' ' 70' ' ' VAL . 15.5 ttp180 -126.56 114.25 17.85 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.555 HG12 ' N ' ' A' ' 71' ' ' GLY . 53.9 t -155.99 162.09 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.888 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.555 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -60.56 -56.02 26.69 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.559 ' HE ' ' CG2' ' A' ' 74' ' ' THR . 33.0 ttt180 -130.23 141.43 50.63 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 74' ' ' THR . 1.8 tt -129.08 113.34 15.01 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.892 0.377 . . . . 0.0 110.993 -179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.559 ' CG2' ' HE ' ' A' ' 72' ' ' ARG . 20.2 p -110.12 121.01 44.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.815 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.09 112.5 20.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.144 0.497 . . . . 0.0 110.943 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -51.92 -161.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.702 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.909 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -84.92 -20.2 31.06 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.167 -0.517 . . . . 0.0 112.362 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.2 m -66.95 -26.05 66.64 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.281 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.21 38.62 78.34 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-O 118.801 -1.0 . . . . 0.0 114.869 176.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -115.16 113.98 24.68 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.236 1.518 . . . . 0.0 110.059 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.4 t -147.79 111.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.023 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -136.02 108.22 7.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.888 0.375 . . . . 0.0 110.288 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.1 -155.44 26.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 t -99.48 115.9 30.36 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 t -104.33 131.35 53.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.033 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -132.29 117.6 18.39 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.915 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.98 170.71 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.8 -36.67 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.078 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.22 138.8 50.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.482 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 t -140.91 125.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.173 0.511 . . . . 0.0 111.551 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' OE1' ' NH2' ' A' ' 72' ' ' ARG . 68.3 mt-10 -123.48 106.45 10.63 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 94' ' ' GLY . 2.5 t -88.81 139.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.203 0.525 . . . . 0.0 111.89 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -135.91 19.22 3.25 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.525 ' N ' ' OG ' ' A' ' 111' ' ' SER . . . -160.87 -151.7 6.32 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.233 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' GLY . 26.6 mtm180 -107.63 133.35 52.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 122.102 0.953 . . . . 0.0 113.169 -177.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.26 113.86 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 114.209 -1.359 . . . . 0.0 109.472 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 97' ' ' VAL . 13.1 m -128.7 126.81 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.949 0.404 . . . . 0.0 110.743 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.9 -94.55 0.15 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.4 137.6 9.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.2 pt -143.85 140.36 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.087 0.47 . . . . 0.0 111.546 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.3 m -132.91 127.0 33.37 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.136 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.416 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 21.3 m -164.87 170.83 14.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.825 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -82.26 -47.73 12.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -126.12 137.77 53.63 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.578 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.06 137.7 46.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.061 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -136.43 107.25 6.62 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.894 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -81.4 96.75 7.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.168 0.509 . . . . 0.0 111.128 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.486 ' O ' ' O ' ' A' ' 92' ' ' VAL . 19.1 m-85 -93.47 162.77 13.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.184 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.627 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 67.17 174.53 6.86 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.338 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.4 p -70.23 27.76 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.303 0.573 . . . . 0.0 109.638 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.627 ' H ' ' C ' ' A' ' 109' ' ' GLY . 32.0 m -53.27 160.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.687 -177.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -130.64 150.97 51.59 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.987 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 62.0 t -141.99 118.8 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -134.68 107.55 7.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.08 -159.03 30.72 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -92.88 117.7 30.32 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.69 142.68 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.333 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.547 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 8.7 m -149.66 112.43 4.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.628 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.547 ' ND1' ' O ' ' A' ' 118' ' ' THR . 52.8 m-70 -154.68 174.24 15.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.063 0.459 . . . . 0.0 111.056 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.447 ' OE2' ' CD1' ' A' ' 137' ' ' PHE . 36.1 mm-40 -99.45 -25.66 14.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.242 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.547 ' C ' HD22 ' A' ' 122' ' ' LEU . 41.7 mt-30 -137.93 123.38 19.57 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.071 0.462 . . . . 0.0 110.61 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.715 HD22 ' N ' ' A' ' 122' ' ' LEU . 2.7 mm? -105.48 147.7 28.01 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.0 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -150.65 118.86 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.395 . . . . 0.0 110.429 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.2 mmm -106.43 124.45 49.62 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -113.45 164.27 13.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.364 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.7 m -43.23 128.89 4.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.436 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 89.82 9.4 66.17 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.52 116.85 24.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.472 . . . . 0.0 111.076 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -128.14 105.64 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -128.58 108.8 10.81 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 111.937 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -127.67 98.86 5.35 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.25 178.63 34.42 Favored Glycine 0 C--N 1.319 -0.373 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.425 ' HE ' HD21 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -81.0 108.69 14.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 177.295 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 t -89.95 131.63 35.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.634 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.425 HD21 ' HE ' ' A' ' 133' ' ' ARG . 92.5 mt -114.52 118.45 33.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.622 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -85.77 106.17 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.257 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.447 ' CD1' ' OE2' ' A' ' 120' ' ' GLU . 28.5 t80 -79.92 124.21 28.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.525 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -137.29 -173.45 3.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 39' ' ' ALA . 45.8 mtmt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.839 0.352 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 57' ' ' GLU . 17.1 t 57.55 -78.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.529 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 37' ' ' LYS . . . -98.35 82.39 2.89 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.241 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.92 154.32 29.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.589 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.499 ' CD1' HE21 ' A' ' 59' ' ' GLN . 51.6 tp -126.21 110.14 13.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 42' ' ' LEU . 3.8 mm? -97.16 131.96 43.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.287 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -66.28 -164.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -86.38 -22.87 26.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.54 28.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -114.49 122.28 46.09 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.249 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.548 ' N ' HD13 ' A' ' 46' ' ' LEU . 75.5 m -130.61 122.49 27.55 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.258 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' A' ' 65' ' ' LYS . 32.0 mm -86.65 133.08 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.788 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -135.46 125.38 25.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.313 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.0 -108.95 3.73 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.41 120.2 0.95 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -108.65 151.01 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 120.818 0.342 . . . . 0.0 110.296 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.8 143.6 50.32 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.584 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.43 -172.14 40.84 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -147.16 157.2 43.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 110.268 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.03 -165.65 15.29 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 38' ' ' VAL . 52.6 tt0 -96.03 121.67 38.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 110.734 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.479 ' C ' HD13 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -117.2 107.63 14.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.525 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.604 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -92.46 101.93 14.38 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.687 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.4 tt -112.08 135.37 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.41 0.624 . . . . 0.0 112.12 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.604 ' CG ' HE22 ' A' ' 59' ' ' GLN . 0.3 OUTLIER -123.13 55.74 1.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.094 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -144.84 -158.98 7.85 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.497 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 t -105.61 119.61 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.335 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.458 ' CG2' HD13 ' A' ' 60' ' ' ILE . 65.7 t -103.7 112.75 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 48' ' ' ILE . 49.4 mtpt -124.52 110.71 14.82 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.13 -157.8 22.63 Favored Glycine 0 N--CA 1.466 0.657 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 9.1 t0 -92.15 149.82 21.27 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.408 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 86.3 t -143.4 132.13 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.055 0.455 . . . . 0.0 111.074 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -128.46 110.95 12.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.008 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.668 HG12 ' N ' ' A' ' 71' ' ' GLY . 40.6 t -149.13 170.67 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.683 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.668 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -86.05 -45.14 5.75 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -133.19 122.86 24.61 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.0 tp -120.32 116.91 26.46 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.999 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.1 m -111.76 121.38 44.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.821 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.3 t -83.21 108.29 15.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.069 0.461 . . . . 0.0 110.852 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -51.11 -163.55 0.01 OUTLIER Glycine 0 CA--C 1.525 0.686 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.775 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -85.38 -18.15 34.58 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 77.2 m -66.93 -26.19 66.73 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 119.347 -0.941 . . . . 0.0 108.868 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.56 37.38 67.17 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 114.832 -1.076 . . . . 0.0 114.779 175.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -113.98 112.78 23.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.173 1.486 . . . . 0.0 110.102 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.7 t -148.87 112.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.67 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -134.82 107.89 7.64 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.15 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.27 -155.32 26.4 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 t -111.35 123.53 50.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.51 141.01 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.208 0.527 . . . . 0.0 111.066 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -128.26 117.62 21.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.529 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.98 176.82 12.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.99 0.424 . . . . 0.0 110.829 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -94.92 -53.29 3.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.81 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.03 135.46 47.6 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.27 143.58 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.786 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -120.74 112.67 19.14 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.217 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -86.66 135.52 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.126 0.489 . . . . 0.0 111.808 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -135.58 18.85 3.32 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.516 ' N ' ' OG ' ' A' ' 111' ' ' SER . . . -160.51 -152.45 6.57 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.58 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' GLY . 64.3 mtp180 -107.43 132.36 53.28 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.232 1.015 . . . . 0.0 113.114 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.45 123.34 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 114.091 -1.413 . . . . 0.0 109.374 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 97' ' ' VAL . 31.3 m -138.96 124.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.594 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.78 -91.52 0.12 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.46 124.2 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.392 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.9 tt -121.15 136.88 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.072 0.463 . . . . 0.0 110.832 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.8 m -133.61 110.52 9.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.192 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m -156.53 164.07 38.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.053 0.454 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -86.43 -29.07 23.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -138.82 130.68 27.83 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -148.25 141.63 18.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.164 0.507 . . . . 0.0 111.108 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -135.69 128.56 31.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.562 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.584 HD12 ' N ' ' A' ' 107' ' ' LEU . 6.9 mp -88.5 95.02 10.06 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.704 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.483 ' O ' ' O ' ' A' ' 92' ' ' VAL . 23.0 m-85 -93.7 162.04 14.1 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.853 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.612 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 62.97 176.57 3.3 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.605 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -70.81 28.02 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.612 ' H ' ' C ' ' A' ' 109' ' ' GLY . 53.2 m -57.33 169.93 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.629 -177.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 4.1 t80 -144.8 144.56 31.22 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.016 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.64 116.97 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.827 0.346 . . . . 0.0 110.354 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -133.72 114.82 13.86 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.73 -160.37 29.27 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -84.37 102.41 12.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.696 0.284 . . . . 0.0 110.248 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.422 HG21 ' CE1' ' A' ' 119' ' ' HIS . 80.5 mt -93.81 142.92 12.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.135 0.493 . . . . 0.0 110.973 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.1 m -140.86 106.05 5.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.464 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.485 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -155.31 145.55 21.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.395 0.617 . . . . 0.0 111.699 -179.53 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.42 -26.4 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.142 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -127.29 124.46 38.83 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.428 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.72 149.8 32.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.025 0.441 . . . . 0.0 111.545 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -144.16 138.01 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.648 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -104.76 127.34 52.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.964 0.411 . . . . 0.0 110.76 -179.252 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.62 149.85 33.97 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.783 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.8 m -40.49 116.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 116.11 4.77 18.14 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.64 28.25 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.747 0.308 . . . . 0.0 111.311 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.537 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 43.0 m-85 -130.17 102.81 6.39 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.532 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 8.8 p90 -132.81 130.01 39.28 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -128.36 100.44 5.81 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 175.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.81 177.2 33.04 Favored Glycine 0 C--N 1.32 -0.331 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -81.42 108.12 14.76 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.1 m -89.51 111.07 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.467 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 32.0 mt -96.53 113.47 25.04 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.641 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -91.79 133.38 35.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 139' ' ' ARG . 18.5 t80 -68.05 117.05 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.153 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 53.12 -91.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.327 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 137' ' ' PHE . 5.4 ptp85 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.511 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 pttp . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.913 0.387 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 t -79.02 -64.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.467 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.71 126.35 54.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.493 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.2 t -106.82 151.57 25.01 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.465 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.509 ' C ' HD12 ' A' ' 42' ' ' LEU . 17.7 tp -142.51 108.77 5.26 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.278 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.555 ' N ' HD12 ' A' ' 42' ' ' LEU . 8.9 mp -102.51 134.78 45.28 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.402 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.3 m -73.97 -165.11 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -79.33 -41.95 26.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.982 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.509 ' C ' HD22 ' A' ' 46' ' ' LEU . 10.3 t70 -72.94 29.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.509 HD22 ' C ' ' A' ' 45' ' ' ASP . 3.9 mm? -111.5 127.85 55.83 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.064 0.459 . . . . 0.0 110.46 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.66 108.89 11.5 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.974 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.2 mm -101.45 146.94 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.81 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' GLY . 86.9 mt-10 -99.95 100.6 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.419 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -36.29 99.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 67' ' ' ASP . . . -178.87 18.71 0.03 OUTLIER Glycine 0 CA--C 1.518 0.25 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.66 148.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.506 -0.347 . . . . 0.0 110.784 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.5 p -139.68 113.56 8.73 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.36 -165.97 15.47 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -151.29 100.16 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.13 -164.09 36.52 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -88.26 114.87 25.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.772 0.32 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.09 107.66 15.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.747 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.578 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -105.96 102.09 11.54 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.193 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' GLY . 13.8 tt -109.6 135.52 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.215 0.531 . . . . 0.0 112.031 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.578 ' CG ' HE22 ' A' ' 59' ' ' GLN . 0.7 OUTLIER -126.76 56.59 1.48 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.266 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.17 -159.02 8.61 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.421 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 80' ' ' HIS . 43.8 t -106.47 113.22 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 115.09 -0.555 . . . . 0.0 109.931 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.94 119.59 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.942 0.401 . . . . 0.0 110.563 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' GLY . 5.6 mtmp? -125.71 135.12 51.74 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.347 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.61 -132.5 8.23 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.431 -0.667 . . . . 0.0 111.431 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 51' ' ' GLY . 9.1 t70 -111.45 125.03 53.45 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.095 0.474 . . . . 0.0 111.436 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.9 t -123.23 123.99 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.403 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -127.64 122.14 32.3 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.526 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.629 HG22 ' N ' ' A' ' 71' ' ' GLY . 14.6 p -162.96 168.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.483 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.629 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -67.23 -48.7 57.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.476 HH21 ' NH2' ' A' ' 106' ' ' ARG . 73.2 ttt180 -138.23 123.46 19.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.746 0.308 . . . . 0.0 110.337 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -111.81 109.93 20.01 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.681 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.6 m -102.78 123.58 46.71 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.864 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.03 104.45 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.06 0.457 . . . . 0.0 109.999 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -51.39 -158.29 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 CA-C-N 114.936 -1.029 . . . . 0.0 113.09 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -84.48 -22.62 30.2 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.471 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 99.2 m -66.96 -26.46 66.83 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.256 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.16 37.8 65.16 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-O 118.832 -0.982 . . . . 0.0 114.23 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.471 ' ND1' ' O ' ' A' ' 78' ' ' THR . 12.6 m80 -113.94 113.11 24.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.269 1.535 . . . . 0.0 110.544 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.83 111.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.15 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -138.66 106.84 5.75 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.941 0.4 . . . . 0.0 110.417 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.97 -155.05 26.09 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.5 p -93.56 129.3 39.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 t -123.68 137.81 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.112 0.482 . . . . 0.0 111.17 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -137.12 130.98 32.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.748 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -171.87 170.9 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.027 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.92 -43.51 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.75 136.69 49.94 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.347 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.17 120.98 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 111.68 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -111.23 107.47 16.79 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.474 ' O ' ' O ' ' A' ' 108' ' ' TYR . 16.9 t -92.22 133.93 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.233 0.54 . . . . 0.0 112.44 -178.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -137.21 19.6 2.97 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.709 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.51 -151.32 6.1 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.919 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 68.9 mtp180 -108.18 134.25 51.29 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 122.12 0.962 . . . . 0.0 113.08 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.42 126.23 28.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.556 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 97' ' ' VAL . 16.1 m -138.84 122.66 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.665 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.09 -98.05 0.17 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.0 137.91 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 100' ' ' ILE . 4.9 pt -141.72 144.95 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.975 0.417 . . . . 0.0 111.056 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.0 m -133.02 122.53 24.32 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.127 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 m -158.83 171.79 19.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.332 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 1.0 OUTLIER -83.09 -48.08 10.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.73 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -125.44 130.36 51.68 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.601 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.85 128.73 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' NH2' HH21 ' A' ' 72' ' ' ARG . 45.7 mtm-85 -127.05 117.2 21.98 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.828 HD22 ' N ' ' A' ' 107' ' ' LEU . 1.4 mm? -90.75 95.23 10.03 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.166 0.508 . . . . 0.0 111.222 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' A' ' 92' ' ' VAL . 37.5 m-85 -95.11 162.1 13.85 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.583 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.596 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 58.72 -164.12 9.3 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.308 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.1 p -67.1 32.42 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.141 -0.529 . . . . 0.0 110.184 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.596 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.3 p -44.78 142.65 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.3 0.571 . . . . 0.0 111.455 -177.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -143.97 119.88 10.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.496 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.34 120.8 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.926 0.394 . . . . 0.0 110.488 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -132.7 102.84 5.83 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.476 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.14 -159.87 28.58 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -85.44 115.36 23.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.696 0.284 . . . . 0.0 110.556 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 117' ' ' ILE . 14.3 tt -116.55 127.73 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.5 m -119.63 132.43 55.7 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.222 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.54 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -174.04 154.51 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.475 ' N ' ' OE2' ' A' ' 120' ' ' GLU . 1.8 mp0 -88.09 -51.23 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.259 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -117.18 133.3 56.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.003 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.09 148.68 32.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.461 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -136.95 132.75 34.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.695 ' SD ' HD23 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -105.44 131.76 52.45 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.985 0.421 . . . . 0.0 111.092 -179.361 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -117.35 162.88 17.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.138 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.5 t -45.91 140.42 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.97 7.26 68.45 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.85 116.22 28.72 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.603 0.239 . . . . 0.0 111.53 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -129.87 102.5 6.33 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 9.2 p90 -132.81 115.51 15.38 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -114.39 100.1 8.07 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 175.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.89 177.03 34.0 Favored Glycine 0 C--N 1.322 -0.22 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -82.11 109.41 16.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.522 ' C ' HD22 ' A' ' 135' ' ' LEU . 87.7 p -94.05 109.58 21.33 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.392 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 135' ' ' LEU . 3.7 mm? -102.82 114.85 29.45 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.166 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -111.76 118.22 34.99 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.909 0.385 . . . . 0.0 110.727 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 138' ' ' GLN . 57.7 m-85 -97.78 112.37 24.3 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.583 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 137' ' ' PHE . 96.6 mm-40 53.7 105.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.623 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.465 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 90.0 mttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.821 0.343 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -45.03 130.07 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.461 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.22 122.62 20.67 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 m -115.53 151.22 35.27 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.659 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.488 HD13 ' C ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -120.39 109.01 14.82 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.287 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.488 HD22 ' N ' ' A' ' 42' ' ' LEU . 3.7 mm? -100.36 107.07 18.75 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.955 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' LEU . 21.7 m -49.5 -178.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.59 -27.82 19.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.041 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.457 ' C ' HD22 ' A' ' 46' ' ' LEU . 4.2 m-20 -69.44 12.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.368 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -102.32 137.51 40.47 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.234 0.54 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 p -130.26 120.29 24.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.816 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.4 135.16 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 110.398 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -134.26 139.56 45.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.588 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.85 -74.01 2.54 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.0 133.19 1.85 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.7 m -126.84 145.51 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 120.803 0.335 . . . . 0.0 110.403 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.1 p -102.38 167.12 10.17 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.49 -160.91 29.66 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -168.59 151.07 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.498 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.6 -163.1 18.66 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -85.72 121.74 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 tp -114.29 107.39 15.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.516 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.75 111.66 23.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' GLY . 13.8 tt -130.44 139.32 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.112 0.482 . . . . 0.0 111.713 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' OG1' ' A' ' 78' ' ' THR . 28.7 p-10 -128.3 53.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.49 -157.93 7.57 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.506 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t -105.51 115.58 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.208 -0.496 . . . . 0.0 109.849 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 60' ' ' ILE . 57.7 t -104.98 111.46 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.218 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -124.99 110.53 14.32 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.834 0.349 . . . . 0.0 110.693 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.26 -170.81 23.69 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -89.7 111.81 22.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.815 0.34 . . . . 0.0 110.229 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.5 t -109.76 136.13 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 120.96 0.41 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -128.31 127.67 43.16 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.284 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.1 p -167.27 166.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.408 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.462 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -62.12 -69.81 1.2 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -121.81 119.51 31.89 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.241 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 74' ' ' THR . 2.1 tt -101.26 117.71 35.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.504 ' N ' HD23 ' A' ' 73' ' ' LEU . 2.5 p -110.89 117.09 32.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.218 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.76 111.92 20.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -52.31 -161.54 0.01 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.182 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 5.5 mp0 -85.24 -24.34 27.84 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 21.2 p -66.32 -25.07 66.66 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.703 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 57.01 38.79 87.61 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-O 118.595 -1.114 . . . . 0.0 115.03 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -109.44 112.0 23.86 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.565 1.683 . . . . 0.0 110.075 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.5 t -149.36 111.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.205 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.07 107.29 5.76 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.697 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.94 -155.2 26.27 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -92.13 133.45 35.76 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -129.72 134.62 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 121.133 0.492 . . . . 0.0 111.363 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -137.23 129.94 30.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.5 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -170.46 172.25 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.384 -0.527 . . . . 0.0 111.144 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -89.19 -39.61 13.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.117 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.36 143.72 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.449 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 t -144.62 116.67 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.091 0.472 . . . . 0.0 111.376 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -116.99 107.1 14.14 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.391 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.514 HG12 ' H ' ' A' ' 94' ' ' GLY . 52.6 t -89.4 139.49 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.258 0.552 . . . . 0.0 112.022 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -135.93 19.94 3.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.514 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.77 -151.83 6.29 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.551 -177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 74.9 mtt180 -107.74 135.36 49.29 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 122.089 0.947 . . . . 0.0 112.817 -177.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.63 132.55 41.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.71 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 97' ' ' VAL . 26.9 m -139.58 116.09 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 110.776 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.84 -101.52 0.19 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -154.79 148.89 25.87 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.1 tt -147.29 134.03 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.169 0.509 . . . . 0.0 111.291 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.5 m -133.93 120.55 20.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.597 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 72.7 m -161.32 173.94 14.26 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.033 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.51 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 1.1 mptp? -84.79 -38.52 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.203 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -126.84 135.45 51.01 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.4 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.2 t -141.98 128.73 19.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.733 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.458 ' NH2' ' OH ' ' A' ' 108' ' ' TYR . 37.1 mtp180 -134.44 125.68 27.96 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.861 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.621 HD12 ' N ' ' A' ' 107' ' ' LEU . 8.6 mp -94.81 95.68 8.85 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.068 0.461 . . . . 0.0 111.26 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 92' ' ' VAL . 31.7 m-85 -94.22 161.78 14.12 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.1 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.606 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 59.44 -162.6 13.91 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.259 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 t -67.94 32.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.099 -0.551 . . . . 0.0 109.821 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.606 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.5 t -44.94 133.02 6.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.478 0.656 . . . . 0.0 112.003 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -133.66 126.92 31.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.836 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.0 t -133.81 122.87 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.994 0.426 . . . . 0.0 110.908 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -133.56 102.78 5.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.456 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.21 -150.01 20.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -86.01 122.61 30.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.445 ' CG2' ' NE2' ' A' ' 119' ' ' HIS . 0.6 OUTLIER -108.19 136.66 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.646 179.672 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 m -148.58 112.35 5.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.559 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -160.74 154.3 22.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 20.7 mp0 -91.6 -27.87 17.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.951 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -133.01 124.84 28.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.626 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.72 149.55 50.64 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.055 0.455 . . . . 0.0 111.132 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -141.9 124.02 15.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.7 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.612 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.7 mmt -105.36 118.81 37.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 111.023 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -109.41 153.11 24.45 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.903 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.11 128.92 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.728 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 104.03 -0.02 44.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.18 116.02 28.48 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 111.253 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -129.68 104.22 7.3 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.612 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 5.2 p90 -130.7 112.42 13.09 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -112.02 101.14 9.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.46 176.95 32.88 Favored Glycine 0 C--N 1.319 -0.391 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.433 ' HE ' HD21 ' A' ' 135' ' ' LEU . 58.1 ttp180 -81.39 108.3 14.88 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 m -88.85 115.76 26.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.878 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.433 HD21 ' HE ' ' A' ' 133' ' ' ARG . 23.1 mt -96.96 109.47 22.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.21 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -84.11 134.51 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 137' ' ' PHE . 23.5 p90 -55.84 111.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.363 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -165.15 -32.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.591 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.523 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 tptp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.749 0.309 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 m -46.83 -30.64 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.04 130.09 44.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -128.94 121.95 29.16 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.53 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.3 109.15 20.95 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 33.0 mt -107.14 117.55 34.36 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.496 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.3 p -49.09 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.766 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.39 -25.98 21.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.699 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -73.06 29.67 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.376 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 44' ' ' ALA . 39.7 tp -121.78 138.92 54.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.209 0.528 . . . . 0.0 110.755 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.8 m -130.97 121.97 26.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.263 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mm -87.26 136.81 22.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.799 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -135.29 139.97 44.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.31 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.79 -100.3 2.65 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.45 116.6 0.71 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.6 p -109.6 148.01 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.778 0.323 . . . . 0.0 110.386 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.24 111.73 15.57 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.37 -157.71 33.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' N ' HG23 ' A' ' 70' ' ' VAL . 61.9 tt0 -169.14 112.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.45 -140.62 15.15 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -81.78 114.78 20.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.842 0.353 . . . . 0.0 110.951 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 tp -105.19 107.24 18.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.027 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -99.05 106.43 18.66 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.499 HD13 ' CG2' ' A' ' 64' ' ' VAL . 9.4 tt -131.96 139.3 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.176 0.512 . . . . 0.0 111.49 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' OG1' ' A' ' 78' ' ' THR . 16.7 p-10 -126.73 50.37 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.17 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.407 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -138.17 -160.12 8.36 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 63' ' ' VAL . 9.2 p -106.39 116.36 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.202 0.525 . . . . 0.0 110.209 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.499 ' CG2' HD13 ' A' ' 60' ' ' ILE . 47.6 t -105.19 119.8 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.208 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -124.08 138.22 54.47 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.449 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.96 -154.73 16.43 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -90.3 128.12 36.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.781 0.324 . . . . 0.0 110.331 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -116.9 123.92 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.296 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -128.33 122.95 32.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.611 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.549 HG22 ' N ' ' A' ' 71' ' ' GLY . 8.4 p -167.7 167.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.455 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.549 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -71.83 -69.64 1.36 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -112.89 119.22 37.23 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 tp -100.86 129.57 46.75 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.599 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.9 m -126.38 108.42 11.21 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.99 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.2 112.68 21.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.347 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -50.6 -161.52 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 CA-C-N 114.912 -1.04 . . . . 0.0 112.935 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -84.78 -23.8 29.03 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.435 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 31.8 p -67.04 -25.82 66.45 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.832 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.463 ' HA3' ' H ' ' A' ' 95' ' ' ARG . . . 56.62 39.49 85.77 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-O 118.586 -1.119 . . . . 0.0 114.957 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 78' ' ' THR . 52.3 m80 -106.29 113.96 27.8 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.559 1.679 . . . . 0.0 110.473 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.2 t -148.43 110.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.051 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.06 107.0 7.96 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.46 -155.33 26.36 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -112.45 137.71 50.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.64 146.16 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.178 0.513 . . . . 0.0 111.185 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 26.7 m-85 -135.29 117.8 15.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.453 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -153.03 176.63 11.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.006 0.432 . . . . 0.0 111.123 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 3.1 mm-40 -93.2 -41.93 9.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.204 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.69 137.31 50.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.547 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.67 132.66 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.14 0.495 . . . . 0.0 111.673 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -131.77 112.34 12.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.119 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.579 HG12 ' H ' ' A' ' 94' ' ' GLY . 61.8 t -101.18 141.87 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.327 0.584 . . . . 0.0 112.55 -178.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -135.48 20.35 3.36 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.579 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.29 -151.45 6.13 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.745 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.463 ' H ' ' HA3' ' A' ' 79' ' ' GLY . 19.2 mtt-85 -107.86 136.64 47.23 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 122.272 1.034 . . . . 0.0 113.324 -177.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.02 129.29 32.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.146 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 97' ' ' VAL . 6.6 p -138.11 108.35 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.46 -102.81 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.3 145.18 21.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.723 0.297 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 tt -140.6 140.25 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.074 0.464 . . . . 0.0 111.236 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.1 m -133.82 108.84 8.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.956 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.7 m -153.89 165.59 35.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.026 0.441 . . . . 0.0 111.21 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 11.0 mptt -72.46 -57.37 4.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.294 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -125.77 134.56 51.69 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.081 0.467 . . . . 0.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.0 m -131.5 148.14 32.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.263 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 mtp85 -137.41 115.3 11.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.922 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 107' ' ' LEU . 8.5 mp -83.41 94.57 8.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.048 0.452 . . . . 0.0 110.333 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 92' ' ' VAL . 2.8 m-85 -94.43 161.51 14.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.224 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.584 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.77 -158.93 5.95 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.177 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -66.97 32.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.127 -0.537 . . . . 0.0 110.308 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.584 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.8 t -45.21 129.67 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.267 0.556 . . . . 0.0 111.698 -177.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -133.33 110.73 10.26 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.311 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.42 120.78 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -133.19 107.12 7.98 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.372 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.57 -155.38 26.1 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -86.47 121.39 28.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.678 0.275 . . . . 0.0 110.581 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 87.2 mt -114.61 141.98 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 110.626 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.1 m -135.84 109.42 7.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.346 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.477 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -156.8 154.75 30.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.145 0.498 . . . . 0.0 111.613 -179.154 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 9.7 mp0 -97.02 -37.77 10.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.63 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -122.21 130.55 53.3 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.644 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.31 131.18 27.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.005 0.431 . . . . 0.0 111.115 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -119.88 126.14 50.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.472 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.609 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.9 mmt -104.58 113.61 27.3 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.941 0.401 . . . . 0.0 110.875 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -102.28 153.44 19.98 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.054 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 71.6 m -42.63 123.78 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 106.95 7.41 33.36 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.83 115.53 28.14 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.696 0.284 . . . . 0.0 111.491 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -130.68 103.57 6.68 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.609 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 3.9 p90 -132.45 114.95 14.93 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -115.26 100.47 8.16 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.26 175.65 33.89 Favored Glycine 0 C--N 1.321 -0.295 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.402 ' CZ ' HD21 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -82.73 108.72 16.3 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.078 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.8 t -92.81 130.49 38.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.064 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 133' ' ' ARG . 34.3 mt -101.27 115.42 30.46 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.412 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -95.46 125.51 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -69.57 125.2 25.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.475 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 61.74 146.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.401 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' NZ ' ' CB ' ' A' ' 37' ' ' LYS . 8.8 mtmp? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 m -43.73 -28.79 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.696 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.14 108.24 20.34 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.427 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 41' ' ' LEU . 23.4 p -112.39 126.77 55.65 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.1 mp -99.26 124.24 44.18 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.452 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.63 119.73 35.88 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.927 0.394 . . . . 0.0 110.361 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 m -53.68 -172.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.616 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.24 -29.89 18.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -68.52 10.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.6 mm? -95.14 131.42 41.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.095 0.474 . . . . 0.0 110.577 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 121.59 22.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.022 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.683 HD12 ' N ' ' A' ' 48' ' ' ILE . 1.5 mp -86.56 133.03 30.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.986 0.422 . . . . 0.0 110.451 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -127.96 125.94 40.48 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.12 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.98 -86.1 1.08 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.05 120.33 0.88 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.28 132.83 39.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.909 0.385 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.8 p -103.28 144.02 31.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.74 -177.89 36.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -170.62 72.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 110.509 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.62 -163.63 36.36 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -73.88 113.55 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.216 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.9 tp -108.75 107.67 18.2 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.47 103.39 13.76 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.0 tt -123.55 131.16 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.182 0.515 . . . . 0.0 111.768 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -116.42 48.46 1.27 Allowed 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.434 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -137.99 -159.87 8.3 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.08 -178.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.9 m -105.68 124.84 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.202 0.525 . . . . 0.0 110.818 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.7 t -105.95 115.7 48.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 48' ' ' ILE . 17.5 mtpp -123.86 123.35 40.26 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.41 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.17 -149.44 18.69 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -90.27 159.11 16.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.781 0.324 . . . . 0.0 110.371 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.16 124.05 10.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -128.23 118.42 23.27 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.529 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.567 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.7 p -167.39 167.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.6 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.567 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -76.14 -66.04 1.92 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -116.09 119.97 37.55 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 74' ' ' THR . 3.1 tt -105.84 117.73 34.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.014 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.577 ' N ' HD23 ' A' ' 73' ' ' LEU . 41.4 m -112.61 116.65 30.52 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.3 t -83.04 111.74 19.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.721 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -49.54 -162.07 0.01 OUTLIER Glycine 0 CA--C 1.526 0.77 0 CA-C-N 114.783 -1.099 . . . . 0.0 113.431 -178.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -84.6 -26.16 28.11 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.1 m -67.0 -25.59 66.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.916 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.5 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.53 38.6 81.58 Favored Glycine 0 C--O 1.223 -0.58 0 CA-C-O 118.667 -1.074 . . . . 0.0 114.185 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -108.64 113.65 26.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.651 1.725 . . . . 0.0 110.073 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.7 t -146.95 113.54 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.477 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -138.27 108.79 6.55 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.566 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.74 -157.36 28.58 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -102.41 115.96 31.64 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 t -100.64 138.56 24.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.998 0.428 . . . . 0.0 111.279 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -136.57 117.91 14.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.614 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.63 178.32 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.3 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -85.71 -56.01 3.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.681 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.86 148.77 51.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.916 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.9 123.7 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.245 0.545 . . . . 0.0 111.399 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.42 107.34 17.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.297 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 94' ' ' GLY . 40.8 t -86.07 139.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.327 0.584 . . . . 0.0 112.282 -178.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -134.48 19.93 3.63 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.567 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.48 -154.91 7.46 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.671 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' A' ' 79' ' ' GLY . 11.2 ptm180 -110.71 134.15 52.72 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.421 1.105 . . . . 0.0 113.546 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -126.34 127.89 70.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.246 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.5 t -133.34 114.32 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.805 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.76 -95.61 0.14 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.72 147.2 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.709 0.29 . . . . 0.0 110.25 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.4 pt -144.56 143.11 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.979 0.419 . . . . 0.0 111.283 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 m -133.28 117.58 17.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.874 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.0 m -157.48 177.26 11.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.238 0.542 . . . . 0.0 111.599 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.529 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 3.0 mptp? -86.61 -27.94 23.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.522 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -154.17 136.32 14.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.974 0.416 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 105' ' ' VAL . 3.3 m -133.05 120.03 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.097 0.475 . . . . 0.0 110.877 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -108.41 111.06 22.76 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.708 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.6 mt -81.72 93.93 6.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.25 0.547 . . . . 0.0 111.134 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 20.0 m-85 -95.64 161.51 14.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.173 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.51 -159.72 5.26 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.52 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 t -65.7 32.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.816 -0.692 . . . . 0.0 110.96 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.546 ' H ' ' C ' ' A' ' 109' ' ' GLY . 12.9 t -44.9 128.24 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.324 0.583 . . . . 0.0 111.397 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -131.9 110.01 10.49 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.521 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.486 HG11 HD11 ' A' ' 117' ' ' ILE . 3.1 t -114.88 119.25 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -133.49 102.84 5.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.217 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.38 -154.96 25.95 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -90.72 129.59 36.8 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.852 0.358 . . . . 0.0 110.967 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.591 HD12 ' CZ ' ' A' ' 130' ' ' PHE . 8.6 mt -119.31 143.26 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 54.5 m -145.23 102.93 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.1 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.461 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -149.97 168.43 23.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.662 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -102.72 -28.07 12.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.385 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -131.65 142.85 49.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.102 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.65 148.94 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.176 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.28 133.84 22.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.696 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.1 mtp -115.39 136.91 52.61 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 111.135 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 6.0 mm-40 -125.11 171.02 10.63 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.034 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.5 t -44.11 138.8 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.401 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.8 9.63 84.25 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 125' ' ' GLU . . . -89.27 116.63 27.64 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.966 0.413 . . . . 0.0 110.889 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -128.74 110.86 12.55 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.591 ' CZ ' HD12 ' A' ' 117' ' ' ILE . 0.8 OUTLIER -130.37 109.0 10.41 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.739 -178.796 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -131.47 99.21 4.75 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.07 178.03 34.53 Favored Glycine 0 C--N 1.319 -0.412 0 N-CA-C 108.464 -1.855 . . . . 0.0 108.464 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -81.05 108.49 14.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 p -86.43 149.95 24.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.399 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 136' ' ' LYS . 1.5 tt -117.73 115.02 24.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.847 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.441 ' N ' HD23 ' A' ' 135' ' ' LEU . 48.1 mttp -81.23 125.08 29.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.001 0.429 . . . . 0.0 110.504 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.47 ' O ' ' CD2' ' A' ' 137' ' ' PHE . 44.4 p90 -62.45 122.78 16.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.578 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' A' ' 137' ' ' PHE . 45.9 mt-30 -59.46 -122.62 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.313 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 120.812 0.339 . . . . 0.0 110.401 179.81 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 pttm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.855 0.359 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.96 129.07 38.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.07 124.48 17.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -117.73 156.44 28.26 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 mt -139.63 108.72 6.05 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 42' ' ' LEU . 8.6 mp -97.12 130.97 44.32 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.262 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -72.29 -164.54 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -80.08 -34.58 37.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.503 ' C ' HD22 ' A' ' 46' ' ' LEU . 18.1 m-20 -77.54 28.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.78 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 45' ' ' ASP . 3.9 mm? -109.77 118.08 35.57 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.069 0.462 . . . . 0.0 110.091 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.62 121.61 35.2 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.115 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -86.39 144.74 8.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -136.26 140.2 43.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.54 -98.44 1.4 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.41 131.78 2.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.7 m -125.0 133.31 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.766 0.317 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -104.84 169.87 8.2 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.65 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.2 -163.58 20.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -170.76 71.46 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.61 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.8 -146.38 10.54 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -92.68 120.42 33.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.893 0.378 . . . . 0.0 110.539 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.4 tp -119.77 107.21 12.92 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.514 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -104.74 102.14 11.73 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.242 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.5 tt -111.27 137.21 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.254 0.549 . . . . 0.0 111.865 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -127.65 64.26 1.36 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.613 178.78 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.06 -158.87 9.05 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.426 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.56 120.14 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 121.174 0.511 . . . . 0.0 110.448 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.3 t -99.6 124.91 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.975 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -124.62 91.05 3.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.091 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.99 -148.32 20.01 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -107.7 155.63 19.97 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.893 0.377 . . . . 0.0 110.679 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.3 t -140.87 134.69 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.671 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -128.84 118.56 22.94 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.572 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.6 p -167.43 171.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.572 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -73.42 -64.32 2.53 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -113.95 135.81 53.59 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.773 0.32 . . . . 0.0 110.383 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.8 tp -136.4 121.9 19.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.328 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 51.7 m -126.98 123.33 36.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 75' ' ' VAL . 1.1 m -85.93 116.21 28.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.322 0.582 . . . . 0.0 110.56 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.46 -157.88 0.01 OUTLIER Glycine 0 CA--C 1.522 0.513 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.557 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -80.87 -14.84 57.65 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 14.4 p -67.5 -27.22 66.82 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.893 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.72 38.26 63.65 Favored Glycine 0 CA--C 1.521 0.437 0 CA-C-N 115.004 -0.998 . . . . 0.0 114.435 176.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -115.32 114.21 24.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.133 1.466 . . . . 0.0 110.363 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -147.25 114.86 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.457 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.66 107.66 7.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.483 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.77 -155.99 27.03 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.7 p -103.97 115.89 31.27 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 t -98.09 120.61 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.09 0.471 . . . . 0.0 111.354 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -120.39 117.13 26.92 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.624 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.32 178.47 8.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.465 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -94.3 -40.22 10.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.01 138.34 24.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.933 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.01 143.95 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.176 0.512 . . . . 0.0 112.002 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -117.21 118.17 31.57 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.189 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.9 t -96.88 130.56 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.4 ' H ' HG22 ' A' ' 75' ' ' VAL . 94.8 mtt180 -131.19 20.23 4.87 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.79 -150.52 5.87 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.972 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 79' ' ' GLY . 56.4 ttp85 -106.95 129.26 54.79 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 122.027 0.918 . . . . 0.0 112.754 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.7 p -135.85 130.73 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.241 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 97' ' ' VAL . 27.9 m -139.38 130.75 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.409 179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.19 -94.92 0.16 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.32 150.77 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 tt -147.38 132.25 10.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.96 0.41 . . . . 0.0 110.564 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.6 m -133.25 112.31 11.57 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.093 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.6 p -158.72 -179.42 8.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 111.253 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -81.91 -55.53 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.61 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -130.18 143.52 50.83 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.958 0.409 . . . . 0.0 110.736 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -148.8 124.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.995 0.426 . . . . 0.0 110.667 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -109.47 134.84 51.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.832 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 107' ' ' LEU . 10.8 mp -96.38 94.0 7.17 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.823 0.344 . . . . 0.0 111.397 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 27.2 m-85 -96.04 161.14 14.11 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.674 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.568 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 53.63 -153.89 7.92 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.537 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.505 ' O ' HG22 ' A' ' 110' ' ' THR . 18.7 m -65.09 31.88 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 114.882 -0.659 . . . . 0.0 110.85 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.568 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.5 m -45.33 132.34 7.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.997 0.427 . . . . 0.0 110.552 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -146.95 112.1 5.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.312 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.448 ' CG1' HD11 ' A' ' 117' ' ' ILE . 1.9 t -115.71 122.77 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.979 0.419 . . . . 0.0 110.761 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -133.65 111.11 10.35 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.586 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.08 -152.83 24.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -85.8 121.64 28.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.448 HD11 ' CG1' ' A' ' 113' ' ' VAL . 91.6 mt -115.44 142.44 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.137 0.494 . . . . 0.0 110.978 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.0 m -142.42 95.2 2.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.779 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.528 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -136.57 142.72 43.39 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.687 -179.268 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -78.0 -51.52 10.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.771 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -122.03 129.08 52.13 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.492 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 122' ' ' LEU . 0.2 OUTLIER -125.1 148.64 48.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.117 0.484 . . . . 0.0 110.973 -178.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.41 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -134.81 121.93 21.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.501 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.607 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -104.98 128.9 53.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.979 0.418 . . . . 0.0 110.997 -179.195 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -121.99 156.47 33.38 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.773 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 121.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.797 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 109.12 4.88 30.94 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.79 115.45 28.07 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.688 0.28 . . . . 0.0 111.278 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -130.95 103.27 6.45 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.522 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 6.0 p90 -131.1 116.45 17.76 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -122.8 100.0 6.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.4 176.24 33.83 Favored Glycine 0 C--N 1.321 -0.294 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 108.29 15.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.2 m -93.52 129.98 39.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.569 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 16.3 mt -95.59 126.76 41.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -84.52 140.26 31.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.501 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -68.72 141.01 55.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 58.86 98.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.61 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.554 -179.837 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 12.2 mptt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.771 0.32 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.0 t -69.08 -31.29 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.277 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -156.15 163.09 40.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.45 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.404 ' C ' HD12 ' A' ' 41' ' ' LEU . 29.9 m -158.15 144.67 17.52 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.967 0.413 . . . . 0.0 111.138 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.1 mp -103.28 120.51 40.9 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.34 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 42' ' ' LEU . 10.6 mp -98.17 110.71 23.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' LEU . 9.8 m -48.75 179.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.965 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.09 -31.17 18.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.796 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.28 29.72 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 44' ' ' ALA . 50.6 mt -120.83 139.01 53.75 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.387 0.613 . . . . 0.0 111.262 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.439 ' OG1' ' OE2' ' A' ' 49' ' ' GLU . 4.5 p -132.09 122.99 26.28 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.721 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.7 mm -86.69 137.71 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.852 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 26.8 mp0 -135.41 140.46 44.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.26 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' O ' ' OD1' ' A' ' 67' ' ' ASP . . . 78.62 -82.18 1.32 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.92 138.6 2.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -144.63 148.86 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 110.653 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -109.73 170.97 7.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.122 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.64 -46.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 60.27 87.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.512 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.63 -178.99 32.8 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.493 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 81.2 tt0 -93.78 114.65 26.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.755 0.312 . . . . 0.0 110.326 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -135.92 148.5 48.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.455 0.645 . . . . 0.0 111.206 -179.781 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 60' ' ' ILE . 4.3 tp-100 -113.03 115.89 29.06 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.74 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.545 HD13 ' CG2' ' A' ' 64' ' ' VAL . 13.2 tt -115.0 128.85 72.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.414 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' C ' ' OG1' ' A' ' 78' ' ' THR . 35.5 p-10 -117.0 49.63 1.16 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.08 -159.23 8.06 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.8 p -106.52 116.58 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.034 0.445 . . . . 0.0 110.323 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.545 ' CG2' HD13 ' A' ' 60' ' ' ILE . 80.6 t -103.76 115.33 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -124.85 130.85 53.2 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.421 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.57 -169.41 12.91 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.391 -0.683 . . . . 0.0 111.391 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 1.7 p-10 -91.64 108.75 20.12 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.839 0.352 . . . . 0.0 110.51 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.1 p -112.6 142.97 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.515 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -127.7 134.15 49.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.358 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.564 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.3 p -167.28 168.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.816 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.564 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -80.36 -68.41 1.48 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -112.86 119.09 36.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.978 0.418 . . . . 0.0 109.932 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 tp -113.18 126.24 55.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.766 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.5 HG22 HE22 ' A' ' 59' ' ' GLN . 4.0 m -122.89 117.0 24.57 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.4 t -83.47 111.04 19.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.602 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.34 -160.08 0.01 OUTLIER Glycine 0 CA--C 1.527 0.826 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.346 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -84.73 -23.24 29.38 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 34.9 p -66.7 -25.4 66.52 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.657 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.1 39.17 79.54 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 118.715 -1.047 . . . . 0.0 114.417 176.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.68 113.28 26.45 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.4 1.6 . . . . 0.0 110.535 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -148.96 110.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.94 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.27 107.43 5.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.023 0.439 . . . . 0.0 110.378 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.96 -155.59 26.58 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.3 m -100.66 123.63 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.47 121.49 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.15 0.5 . . . . 0.0 110.963 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 10.2 m-85 -113.98 123.63 50.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.728 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.56 160.74 38.47 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.366 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -83.2 -44.38 15.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.117 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.93 138.08 43.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.685 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.4 p -145.55 145.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.177 0.513 . . . . 0.0 111.403 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -133.94 109.8 9.27 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.549 HG12 ' H ' ' A' ' 94' ' ' GLY . 67.0 t -88.92 142.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.288 0.566 . . . . 0.0 112.314 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -137.1 20.23 2.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.549 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.32 -151.18 6.05 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.424 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -107.63 136.68 46.98 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 122.122 0.963 . . . . 0.0 113.055 -177.588 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 96' ' ' VAL . 6.0 p -141.33 125.36 16.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.954 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 97' ' ' VAL . 18.0 m -138.9 130.18 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.44 -95.99 0.16 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.27 138.76 11.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 110.486 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 tt -141.41 138.81 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.016 0.436 . . . . 0.0 110.853 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.8 m -133.32 109.46 9.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.792 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.1 t -146.62 164.37 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.15 0.5 . . . . 0.0 111.268 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -86.89 -35.01 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.502 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -132.96 121.82 23.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.267 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.0 t -126.29 144.15 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -141.49 107.77 5.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.799 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.6 mt -81.19 95.16 6.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.988 0.423 . . . . 0.0 111.139 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 92' ' ' VAL . 3.7 m-85 -94.32 163.01 13.61 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.681 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.554 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 52.6 -160.87 2.68 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.081 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 110' ' ' THR . 2.3 t -65.2 32.23 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.088 0.555 . . . . 0.0 111.134 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.554 ' H ' ' C ' ' A' ' 109' ' ' GLY . 10.7 t -45.12 130.79 7.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.272 0.558 . . . . 0.0 111.735 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -131.48 109.83 10.57 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.658 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -109.86 116.74 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.629 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -133.68 102.65 5.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.1 -148.67 18.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -90.67 115.14 27.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.81 0.338 . . . . 0.0 110.545 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.427 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 0.5 OUTLIER -98.43 142.56 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.029 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.7 m -149.69 119.19 6.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.107 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -177.84 157.8 1.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.954 0.406 . . . . 0.0 110.946 -179.777 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.57 -34.33 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.169 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -121.45 126.08 48.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.118 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -134.24 143.33 47.74 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.436 -179.707 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -135.96 132.21 36.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.175 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.6 mtp -112.47 117.24 31.84 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.142 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -105.31 161.1 14.59 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.983 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.7 t -40.56 135.56 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.7 0.286 . . . . 0.0 110.62 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 86.6 9.34 75.41 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.56 118.39 27.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 111.333 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -127.01 112.79 15.65 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 130' ' ' PHE . 1.6 t80 -132.13 109.2 9.8 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.848 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.89 98.96 4.94 Favored 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.43 177.22 35.18 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -81.9 108.86 15.75 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.2 p -88.8 127.5 35.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.875 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 135' ' ' LEU . 10.5 mp -96.24 124.8 40.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.178 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -82.62 143.65 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.757 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -97.45 154.78 17.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.31 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -158.01 140.65 14.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.643 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.786 0.327 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.26 115.58 5.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.663 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.37 88.46 3.11 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.2 t -78.29 148.29 33.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.382 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 42' ' ' LEU . 2.6 tt -126.94 108.76 11.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.228 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' N ' HD12 ' A' ' 42' ' ' LEU . 10.8 mp -103.77 124.34 48.72 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.9 p -60.44 -178.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.336 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.92 -20.74 24.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.655 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -75.2 29.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.106 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 44' ' ' ALA . 26.3 mt -125.78 142.87 51.3 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.435 0.636 . . . . 0.0 111.391 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.14 124.31 27.28 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.802 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.07 143.94 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.034 0.445 . . . . 0.0 111.02 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -134.51 140.32 46.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.499 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.99 -68.72 2.25 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.78 142.11 3.45 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -133.25 150.73 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.854 0.359 . . . . 0.0 110.507 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.45 150.67 34.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.406 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' HG13 ' A' ' 70' ' ' VAL . . . -168.66 80.16 0.1 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.07 110.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.678 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 144.39 -161.83 27.94 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -88.06 118.84 27.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.815 0.34 . . . . 0.0 110.214 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -115.24 107.46 15.31 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.359 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -102.91 115.4 30.52 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.7 tt -134.99 144.24 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.931 0.396 . . . . 0.0 111.397 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -125.03 54.18 1.45 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.297 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.21 -160.42 8.3 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.7 p -109.19 112.14 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.508 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.466 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.3 m -106.7 122.3 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -124.63 118.7 27.1 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.348 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.88 -147.79 19.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -105.34 119.82 40.02 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.804 0.335 . . . . 0.0 110.32 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 t -110.1 129.8 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.439 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 70' ' ' VAL . 40.1 ttp85 -127.55 110.97 13.25 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.365 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.578 HG12 ' N ' ' A' ' 71' ' ' GLY . 69.3 t -157.49 163.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.373 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.578 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -70.89 -62.8 3.41 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.28 124.91 48.98 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.758 0.313 . . . . 0.0 110.217 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.557 HD13 ' N ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -111.36 116.18 30.53 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.68 -179.524 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.557 ' N ' HD13 ' A' ' 73' ' ' LEU . 95.2 m -112.01 109.1 18.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.967 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 t -83.56 123.92 39.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.244 0.545 . . . . 0.0 110.788 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.59 -157.95 0.18 Allowed Glycine 0 CA--C 1.525 0.661 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.339 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -83.66 -20.49 33.5 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.0 m -66.95 -26.87 67.04 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 119.138 -1.025 . . . . 0.0 108.685 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.13 38.61 67.33 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 118.773 -1.015 . . . . 0.0 114.584 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.09 113.58 26.21 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.316 1.558 . . . . 0.0 110.736 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -148.64 111.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.284 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -137.59 108.61 6.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.043 0.449 . . . . 0.0 110.553 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.37 -155.72 26.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.2 m -101.26 115.92 31.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.15 117.47 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 111.351 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -113.42 124.73 53.12 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.635 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.28 176.62 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.223 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.85 -45.87 10.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.104 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.13 147.46 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.719 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.523 ' O ' HG23 ' A' ' 90' ' ' VAL . 31.7 m -145.58 120.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.461 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -106.63 106.24 16.67 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.1 m -93.86 146.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.491 0.662 . . . . 0.0 111.966 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -131.82 22.21 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.095 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.35 -151.27 5.96 Favored Glycine 0 CA--C 1.533 1.174 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.555 -177.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLY . 89.2 mtt180 -106.0 133.04 51.36 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.313 1.054 . . . . 0.0 113.709 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.3 t -123.53 108.48 21.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 113.858 -1.519 . . . . 0.0 109.176 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.41 107.63 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.871 0.367 . . . . 0.0 110.341 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.16 -106.13 0.28 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.6 145.56 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.552 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.3 pt -142.99 143.92 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.9 m -133.36 114.47 13.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.979 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -155.84 169.14 25.08 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.294 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -78.97 -35.08 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.14 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -131.64 143.74 50.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.124 0.488 . . . . 0.0 110.945 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 20.9 t -144.85 127.68 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -132.8 122.33 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.684 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 107' ' ' LEU . 11.0 mp -93.08 96.11 9.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.358 0.599 . . . . 0.0 111.602 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -93.82 161.52 14.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.718 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.61 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.83 178.18 6.28 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.805 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.0 p -71.87 27.73 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.61 ' H ' ' C ' ' A' ' 109' ' ' GLY . 6.2 p -54.78 168.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.294 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 2.4 t80 -150.47 140.18 21.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.5 t -134.69 121.8 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 120.922 0.391 . . . . 0.0 110.468 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -133.42 104.21 6.31 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 164.2 -158.65 31.33 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -91.13 120.48 32.12 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.764 0.316 . . . . 0.0 110.623 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.2 mt -116.11 142.37 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 37.8 m -137.56 103.32 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.705 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.481 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -146.31 165.46 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.237 0.542 . . . . 0.0 111.167 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 4.4 mp0 -100.28 -42.04 6.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.393 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -117.88 137.83 52.53 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.455 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.71 149.36 37.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.987 0.423 . . . . 0.0 111.067 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -140.37 147.61 40.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.876 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.508 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 17.3 mmt -129.22 118.8 22.95 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.779 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -108.99 157.61 18.5 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.167 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 126' ' ' THR . 0.0 OUTLIER -43.66 116.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.479 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 115.81 2.1 20.83 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.39 114.65 27.24 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.633 -0.334 . . . . 0.0 111.15 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 65.2 m-85 -130.67 101.76 5.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.508 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 14.5 p90 -132.56 121.82 23.85 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -119.02 100.03 7.1 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.32 176.25 33.77 Favored Glycine 0 C--N 1.319 -0.415 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -82.49 108.16 15.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.6 t -96.29 119.12 34.2 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.547 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.9 mt -97.98 111.76 23.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.723 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -98.21 128.02 44.45 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.564 ' CG ' ' N ' ' A' ' 138' ' ' GLN . 60.8 t80 -75.18 167.39 22.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 137' ' ' PHE . 80.5 mm-40 -71.03 116.14 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.668 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.8 tttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.813 0.34 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 57' ' ' GLU . 2.8 t 55.62 44.82 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.27 78.91 2.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.215 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.77 153.02 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.241 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 42' ' ' LEU . 16.1 tp -133.21 109.32 9.35 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.374 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 42' ' ' LEU . 8.5 mp -98.58 118.13 34.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.306 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.4 p -54.72 179.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.799 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -84.34 -31.8 24.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.376 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.85 29.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.364 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.9 tp -131.18 142.3 50.18 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.555 0.693 . . . . 0.0 111.433 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 47' ' ' THR . 13.6 t -138.89 125.06 20.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.583 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -86.6 147.29 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.961 0.41 . . . . 0.0 110.708 -179.242 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 48' ' ' ILE . 85.2 mt-10 -133.8 140.31 46.84 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.534 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 67' ' ' ASP . . . 90.71 -106.13 3.33 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.45 113.32 0.56 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.6 p -93.72 136.72 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.755 0.312 . . . . 0.0 110.658 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 t -103.15 165.34 11.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.56 -175.25 41.14 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -172.1 57.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.511 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.01 -140.99 4.22 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 38' ' ' VAL . 66.7 tt0 -94.57 113.15 24.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.039 0.447 . . . . 0.0 110.514 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -108.22 107.64 18.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.721 -179.732 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -103.89 101.94 11.74 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 64' ' ' VAL . 10.8 tt -113.4 132.53 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.268 0.556 . . . . 0.0 111.736 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -124.91 51.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.736 178.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -143.32 -159.36 7.93 Favored Glycine 0 C--O 1.243 0.708 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.102 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.7 m -106.37 122.27 59.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.041 0.448 . . . . 0.0 109.914 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' A' ' 60' ' ' ILE . 52.7 t -97.39 123.29 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' H ' HG13 ' A' ' 48' ' ' ILE . 4.2 tppt? -125.08 90.88 3.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.448 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.13 -140.81 9.1 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 7.3 p-10 -113.12 150.64 31.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.545 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.17 127.12 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.795 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -128.53 114.99 17.44 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.679 HG22 ' N ' ' A' ' 71' ' ' GLY . 12.5 p -167.33 175.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.546 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.679 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -73.34 -69.12 1.44 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -112.56 138.26 49.59 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.4 tp -124.05 118.73 27.62 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.001 0.429 . . . . 0.0 110.696 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.57 117.22 32.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.582 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.448 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.2 t -83.4 108.28 15.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.098 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -49.54 -163.92 0.01 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.036 -0.983 . . . . 0.0 113.348 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -84.85 -23.91 28.82 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.41 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 46.0 p -66.47 -25.82 66.89 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 119.228 -0.989 . . . . 0.0 108.578 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.62 38.78 72.97 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 114.974 -1.012 . . . . 0.0 114.044 176.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -111.62 113.22 25.47 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.152 1.476 . . . . 0.0 110.374 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.8 t -147.71 115.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.7 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.86 107.58 6.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.371 . . . . 0.0 110.058 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.7 -155.72 26.76 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -96.93 145.93 25.44 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -137.25 114.8 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.015 0.436 . . . . 0.0 111.392 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -117.39 120.19 37.4 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.685 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.09 172.44 15.86 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.121 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -86.17 -37.72 18.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.12 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.45 149.75 34.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.603 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.6 132.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.147 0.499 . . . . 0.0 111.787 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -112.9 128.89 56.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.935 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.9 t -109.32 138.31 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 121.151 0.501 . . . . 0.0 112.001 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -137.85 19.75 2.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.448 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.59 -152.13 6.39 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.805 -177.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 83.1 mtt180 -108.67 136.27 48.54 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 122.141 0.972 . . . . 0.0 113.255 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 p -136.45 122.24 28.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.641 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.66 114.33 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.936 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.47 -101.13 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.48 141.5 5.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.646 0.26 . . . . 0.0 110.302 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.7 pt -142.42 146.18 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.986 0.422 . . . . 0.0 111.142 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.8 m -132.99 120.57 21.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.956 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -156.58 163.17 39.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.351 . . . . 0.0 111.138 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -85.49 -24.81 27.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -139.71 122.09 16.06 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.528 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.567 HG21 ' ND1' ' A' ' 119' ' ' HIS . 12.1 t -121.47 131.44 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.503 ' NH2' ' OH ' ' A' ' 108' ' ' TYR . 36.7 mtp180 -132.61 107.28 8.33 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.873 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.7 mt -88.32 96.29 10.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.109 0.48 . . . . 0.0 111.621 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.506 ' O ' ' O ' ' A' ' 92' ' ' VAL . 54.1 m-85 -94.2 162.81 13.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.527 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.601 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 59.47 -165.04 10.59 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.254 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 m -68.46 31.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.104 -0.548 . . . . 0.0 109.909 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.601 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.5 p -45.61 138.31 4.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.387 0.613 . . . . 0.0 111.627 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.541 ' CZ ' ' OD1' ' A' ' 114' ' ' ASP . 64.1 t80 -136.69 128.45 29.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.864 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.94 118.2 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.032 0.444 . . . . 0.0 110.904 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.541 ' OD1' ' CZ ' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -133.39 106.44 7.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.297 179.775 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.78 -144.57 9.88 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -101.86 102.73 13.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.777 0.323 . . . . 0.0 110.494 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.3 tt -108.12 134.06 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.378 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 78.7 m -133.14 135.88 45.45 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.445 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.567 ' ND1' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -172.01 166.89 6.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.983 0.421 . . . . 0.0 110.861 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -97.43 -34.87 10.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.193 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -128.08 124.54 37.27 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.985 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.63 148.94 47.61 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.043 0.449 . . . . 0.0 110.481 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.79 118.92 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.762 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.4 OUTLIER -105.62 137.17 43.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.597 -179.562 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -124.32 158.93 31.44 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.261 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 126' ' ' THR . 6.5 t -40.83 125.72 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.72 4.39 39.67 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.68 116.4 28.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.734 0.302 . . . . 0.0 111.628 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 23.5 m-85 -129.6 102.51 6.4 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 9.3 p90 -132.31 119.56 20.93 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -178.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -120.71 100.14 6.94 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.56 176.87 33.78 Favored Glycine 0 C--N 1.321 -0.279 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -82.19 109.3 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.4 t -89.22 117.91 28.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.816 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.8 mt -100.75 108.94 20.9 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -95.4 139.81 31.17 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.798 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -93.56 122.29 35.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.186 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -172.01 150.11 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.492 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 52.8 mtm-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.662 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.845 0.355 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG22 ' N ' ' A' ' 39' ' ' ALA . 7.2 p -164.63 160.28 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.677 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.556 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -127.56 138.01 52.76 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.06 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 p -144.19 150.31 37.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -127.96 126.57 41.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 mt -107.02 124.26 49.38 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 p -61.23 -167.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.79 -26.84 21.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.001 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.525 ' C ' HD22 ' A' ' 46' ' ' LEU . 15.2 m-20 -74.83 26.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.347 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.525 HD22 ' C ' ' A' ' 45' ' ' ASP . 4.0 mm? -112.35 132.76 54.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.208 0.528 . . . . 0.0 110.5 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.02 120.99 19.8 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.094 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.735 HD12 ' N ' ' A' ' 48' ' ' ILE . 1.5 mp -86.45 135.43 25.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.975 0.417 . . . . 0.0 110.476 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -135.59 130.22 34.12 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.055 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.57 -70.29 2.16 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.33 135.98 2.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.1 p -137.52 144.07 32.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.1 p -102.77 108.04 19.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.932 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.35 -151.93 19.55 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 70' ' ' VAL . 79.9 tt0 -172.38 144.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.65 -146.48 50.35 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -82.82 121.41 26.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.857 0.36 . . . . 0.0 110.692 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.8 tp -120.49 107.65 13.13 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.535 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? -94.42 122.06 36.61 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.457 HD13 ' CG2' ' A' ' 64' ' ' VAL . 10.0 tt -135.4 130.96 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.174 0.512 . . . . 0.0 111.559 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 3.3 p30 -120.47 49.62 1.42 Allowed 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.13 -157.89 7.61 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.714 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 63' ' ' VAL . 2.8 m -105.29 124.2 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.155 -0.523 . . . . 0.0 109.925 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 60' ' ' ILE . 82.7 t -111.93 110.21 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.75 0.309 . . . . 0.0 111.423 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 48' ' ' ILE . 33.7 mtmt -125.18 106.59 10.01 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.424 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.29 -163.84 28.39 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -101.26 106.41 17.6 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.4 p -111.7 142.62 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.016 0.436 . . . . 0.0 111.173 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -128.4 136.04 50.35 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.204 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.9 p -167.69 171.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.573 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.568 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -79.84 -69.39 1.4 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.5 mtt85 -114.29 118.84 35.04 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.5 tp -104.32 131.73 51.34 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.047 0.451 . . . . 0.0 110.847 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -124.5 113.53 18.23 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.578 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.7 t -83.19 107.31 14.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.523 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.44 -160.66 0.01 OUTLIER Glycine 0 CA--C 1.526 0.738 0 CA-C-N 114.94 -1.027 . . . . 0.0 113.013 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -84.87 -20.62 30.53 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.2 m -66.66 -26.38 67.02 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 119.199 -1.0 . . . . 0.0 109.013 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.11 37.99 65.32 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.104 -0.953 . . . . 0.0 114.244 176.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -111.92 112.9 24.88 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.075 1.438 . . . . 0.0 110.285 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -149.14 110.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.098 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -137.0 106.97 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.16 -154.59 25.67 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 m -105.8 121.59 44.35 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.959 0.409 . . . . 0.0 110.2 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.6 p -122.32 130.06 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -121.25 133.08 55.14 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.929 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.92 167.52 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.467 ' N ' ' OE2' ' A' ' 88' ' ' GLU . 1.5 mm-40 -86.68 -41.52 14.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.095 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.34 143.12 39.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.675 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.63 138.36 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.186 0.517 . . . . 0.0 111.77 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -117.83 129.52 55.71 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.103 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.464 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -107.38 137.72 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.15 0.5 . . . . 0.0 111.852 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -136.2 19.7 3.19 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . -160.35 -152.06 6.42 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.543 -178.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 79' ' ' GLY . 70.5 mtp180 -107.58 135.63 48.71 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.113 0.959 . . . . 0.0 113.36 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.37 125.54 27.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.299 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.44 125.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.999 0.428 . . . . 0.0 111.067 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.75 -93.21 0.13 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.68 126.02 2.9 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.642 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 pp -126.73 142.08 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.225 0.535 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.3 m -133.81 118.13 17.66 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.211 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -164.52 147.42 8.89 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.958 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -74.51 -17.84 60.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.588 ' NE2' ' N ' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -145.06 123.9 12.67 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.779 -179.642 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.588 ' N ' ' NE2' ' A' ' 104' ' ' GLN . 2.8 m -140.53 137.82 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.962 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -128.15 118.03 22.65 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.97 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 107' ' ' LEU . 9.1 mp -87.56 94.91 9.85 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.239 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 92' ' ' VAL . 9.6 m-85 -94.85 162.01 13.93 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.11 178.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.608 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 66.23 175.04 6.02 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.958 178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.0 p -70.68 28.27 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.608 ' H ' ' C ' ' A' ' 109' ' ' GLY . 9.1 t -59.67 170.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.74 -177.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 5.3 t80 -146.73 142.67 28.05 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.451 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -130.76 121.73 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 120.986 0.422 . . . . 0.0 110.532 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -133.84 122.51 23.33 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.68 -157.08 27.15 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -90.05 123.56 34.03 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 73.5 mt -118.39 126.3 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.108 0.48 . . . . 0.0 111.288 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.5 m -122.78 99.44 6.39 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.24 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.535 ' H ' ' HD1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -140.07 153.56 46.8 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 111.237 -178.789 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.43 -37.86 10.74 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.767 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -132.13 131.14 42.01 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.886 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.22 149.64 44.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.146 0.498 . . . . 0.0 111.331 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -131.27 132.79 44.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.447 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.478 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 24.2 mmt -108.95 122.06 46.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.988 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -113.39 150.14 33.1 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.985 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.6 t -39.51 135.18 1.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.83 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.77 1.7 58.67 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.63 115.4 28.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.688 0.28 . . . . 0.0 111.039 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PHE . . . . . 0.551 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 42.9 m-85 -129.92 103.28 6.69 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.478 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 28.1 p90 -132.1 125.62 31.79 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -126.46 100.39 6.23 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 176.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.66 176.67 33.13 Favored Glycine 0 C--N 1.318 -0.445 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -82.08 108.31 15.46 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.0 t -95.45 125.3 39.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.643 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.8 mt -103.37 109.64 21.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.469 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -94.59 109.15 21.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.667 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -48.54 118.88 2.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.473 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 43.79 -120.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.416 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.429 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.801 0.334 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.414 ' H ' ' H ' ' A' ' 39' ' ' ALA . 5.7 p -158.21 -17.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.414 ' H ' ' H ' ' A' ' 38' ' ' VAL . . . -152.64 115.71 4.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -111.94 157.79 20.25 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.671 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.74 134.94 34.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.222 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.66 135.46 53.91 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.8 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.3 m -64.39 -163.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.047 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.523 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.47 -41.2 13.7 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.191 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.5 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -71.89 29.74 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.704 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -113.42 128.43 56.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.336 0.588 . . . . 0.0 110.926 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.0 p -128.38 108.19 10.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.085 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.1 mm -96.06 146.87 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.112 0.482 . . . . 0.0 111.128 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' GLY . 50.9 mt-10 -102.4 94.49 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.474 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.577 ' C ' ' H ' ' A' ' 67' ' ' ASP . . . -35.01 108.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 67' ' ' ASP . . . 173.45 13.59 0.02 OUTLIER Glycine 0 CA--C 1.519 0.313 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.422 ' H ' ' H ' ' A' ' 51' ' ' GLY . 15.6 m -104.45 151.4 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.27 -0.465 . . . . 0.0 110.827 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.7 m -135.34 136.47 41.55 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . 165.57 105.6 0.19 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 54' ' ' GLY . 37.5 mt-10 -51.53 -170.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.792 0.33 . . . . 0.0 111.026 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.95 175.06 39.55 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.49 129.0 34.82 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.984 0.421 . . . . 0.0 110.564 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 tp -134.49 108.25 8.01 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -97.95 134.81 40.55 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.452 ' O ' HG23 ' A' ' 60' ' ' ILE . 16.0 tt -135.71 126.62 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.473 . . . . 0.0 111.306 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -113.49 46.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.818 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.439 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -146.19 -160.2 8.59 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 63' ' ' VAL . 9.1 p -107.49 126.71 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 115.637 -0.281 . . . . 0.0 110.664 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 64' ' ' VAL . 6.3 p -135.74 122.29 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 120.895 0.379 . . . . 0.0 111.21 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 50' ' ' GLY . 52.0 pttt -127.04 144.08 51.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.286 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 84' ' ' SER . . . 126.06 -135.68 9.22 Favored Glycine 0 N--CA 1.47 0.9 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' A' ' 50' ' ' GLY . 18.9 t0 -113.52 113.04 24.57 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.125 0.488 . . . . 0.0 110.855 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.6 t -117.0 128.07 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.668 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.7 ttm-85 -127.14 126.03 42.21 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.915 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.666 HG22 ' N ' ' A' ' 71' ' ' GLY . 14.8 p -162.89 169.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.134 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.666 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -73.14 -72.04 1.02 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -114.67 120.51 40.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.242 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 tp -104.3 129.6 52.15 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.982 0.42 . . . . 0.0 110.729 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.0 m -123.52 112.68 17.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.547 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -82.63 108.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.248 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.8 -159.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 CA-C-N 114.881 -1.054 . . . . 0.0 113.147 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -84.85 -23.95 28.79 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 51.5 m -66.89 -26.31 66.81 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.169 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.0 39.07 78.12 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-O 118.675 -1.07 . . . . 0.0 114.925 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 78' ' ' THR . 5.8 m80 -111.28 112.96 25.1 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.439 1.62 . . . . 0.0 110.46 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -148.57 110.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.778 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 65' ' ' LYS . 26.0 tt0 -138.17 107.09 5.97 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.056 0.455 . . . . 0.0 110.464 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.16 -155.23 26.3 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 109.849 -1.301 . . . . 0.0 109.849 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 66' ' ' GLY . 3.1 m -104.34 129.99 52.2 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.8 p -138.64 146.49 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.09 0.471 . . . . 0.0 111.326 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -136.1 128.99 31.17 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.937 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.406 ' O ' ' OG ' ' A' ' 102' ' ' SER . . . -158.94 140.1 12.99 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.833 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 88' ' ' GLU . 1.2 mm-40 -54.89 -50.44 68.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.222 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.05 146.95 52.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.987 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -153.1 135.29 6.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.13 0.49 . . . . 0.0 111.616 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -119.82 114.96 22.9 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.139 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 94' ' ' GLY . 2.4 t -88.97 136.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.124 0.488 . . . . 0.0 112.072 -178.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -135.01 19.29 3.45 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . -160.12 -152.65 6.61 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.406 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 79' ' ' GLY . 60.7 mtp180 -108.04 134.6 50.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 122.188 0.994 . . . . 0.0 113.083 -177.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 96' ' ' VAL . 3.3 p -139.74 119.52 13.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.422 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 97' ' ' VAL . 18.6 m -134.9 127.09 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.778 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.17 -87.54 0.14 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -166.31 130.79 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.309 . . . . 0.0 110.399 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.47 143.23 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.1 0.476 . . . . 0.0 110.807 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.2 m -132.93 129.67 38.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.112 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 87' ' ' ALA . 17.2 t -154.77 158.63 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.617 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.515 ' N ' ' CD ' ' A' ' 103' ' ' LYS . 2.0 mptp? -80.36 -34.08 36.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.288 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -143.88 133.12 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.865 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.52 149.33 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.072 0.463 . . . . 0.0 111.256 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -140.58 115.79 9.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.425 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 107' ' ' LEU . 7.6 mp -77.81 96.87 5.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.024 0.44 . . . . 0.0 111.438 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 13.6 m-85 -93.1 161.35 14.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.215 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.578 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 67.59 176.3 9.26 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.573 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 m -73.26 28.02 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.578 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.0 t -54.84 162.78 1.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.984 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -134.7 150.86 50.65 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.317 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.41 115.54 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.841 0.353 . . . . 0.0 110.428 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -133.93 106.73 7.42 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.948 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.64 -168.94 34.97 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.76 115.44 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.0 tt -117.81 140.45 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.058 0.456 . . . . 0.0 110.944 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.3 m -136.81 122.06 19.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.685 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.566 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -158.98 167.74 28.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 111.109 -179.188 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.541 ' OE1' ' CG ' ' A' ' 137' ' ' PHE . 9.5 mm-40 -94.3 -44.5 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.174 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -126.11 128.06 46.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.463 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.485 HD22 ' CD2' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -128.47 147.63 50.68 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.16 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.22 153.63 49.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.138 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.405 ' O ' ' OE2' ' A' ' 125' ' ' GLU . 4.4 mtp -131.05 132.73 45.12 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.622 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 124' ' ' MET . 17.9 mm-40 -122.11 163.15 19.98 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.439 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.0 m -43.76 112.67 0.42 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.183 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 109.61 6.59 28.72 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.39 117.27 28.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.965 0.412 . . . . 0.0 110.779 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -127.89 114.45 17.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -132.16 108.68 9.43 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -128.52 98.57 5.07 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 175.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.87 178.06 34.34 Favored Glycine 0 C--N 1.317 -0.505 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -81.35 109.0 15.44 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 t -87.75 135.47 33.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.8 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.2 mt -114.45 109.1 17.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.133 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -83.77 128.44 34.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.569 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.541 ' CG ' ' OE1' ' A' ' 120' ' ' GLU . 66.6 t80 -64.81 166.47 8.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.779 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.453 ' N ' ' CG ' ' A' ' 137' ' ' PHE . 73.2 mt-30 -69.4 -123.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.362 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.713 0.292 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 38' ' ' VAL . 2.5 t -55.62 -35.09 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.4 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -154.94 142.32 19.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.273 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t -150.65 159.28 44.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.793 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.02 108.67 6.6 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.444 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 42' ' ' LEU . 10.4 mp -99.71 128.72 45.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.182 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 44' ' ' ALA . 47.0 t -65.69 -168.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.731 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -82.54 -28.66 30.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.454 ' C ' HD22 ' A' ' 46' ' ' LEU . 39.0 m-20 -69.46 10.17 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.507 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -102.86 130.1 49.77 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.509 0.671 . . . . 0.0 110.902 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 47' ' ' THR . 6.0 t -138.55 118.8 13.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.322 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 48' ' ' ILE . 1.4 mp -86.89 133.49 29.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -134.99 138.79 44.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.335 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.09 -86.65 1.39 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.81 120.93 0.89 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.21 132.31 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.96 0.41 . . . . 0.0 110.519 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 m -112.54 138.96 48.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.378 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.6 -164.08 30.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -170.01 123.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.03 -172.41 20.66 Favored Glycine 0 N--CA 1.464 0.566 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.7 112.94 13.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 0.0 110.275 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.3 tp -109.08 106.97 17.12 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -94.35 110.92 22.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 64' ' ' VAL . 3.5 tt -128.52 125.51 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.359 0.599 . . . . 0.0 111.693 -178.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 78' ' ' THR . 0.9 OUTLIER -110.08 52.47 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.21 -159.42 7.91 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.498 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.5 t -105.76 125.66 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.124 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 60' ' ' ILE . 96.3 t -110.36 121.73 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 120.909 0.385 . . . . 0.0 111.184 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -124.53 144.16 50.27 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.613 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.89 -160.84 26.55 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -79.92 150.7 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.821 0.343 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 86' ' ' TYR . 2.4 t -132.84 108.9 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.824 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 70' ' ' VAL . 77.8 mtm180 -107.4 110.36 22.32 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.206 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.598 HG12 ' N ' ' A' ' 71' ' ' GLY . 77.8 t -158.04 164.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.256 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.598 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -75.22 -68.06 1.62 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mtm-85 -116.97 118.63 32.94 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.8 tp -102.81 122.65 44.93 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 110.844 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -115.11 115.78 27.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.574 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.8 t -82.6 108.81 15.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.973 0.416 . . . . 0.0 110.442 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -49.48 -161.1 0.01 OUTLIER Glycine 0 CA--C 1.527 0.842 0 CA-C-N 114.68 -1.145 . . . . 0.0 113.595 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -84.46 -23.31 29.99 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 67.3 m -67.03 -25.19 66.16 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.23 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.5 38.51 80.83 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-O 118.882 -0.955 . . . . 0.0 114.432 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -112.94 113.48 25.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.048 1.424 . . . . 0.0 110.231 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -147.59 112.91 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.311 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -136.96 108.56 6.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.531 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.71 -156.43 27.6 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 m -101.74 116.46 32.78 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.11 111.4 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.395 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 68' ' ' VAL . 58.2 m-85 -114.04 117.78 32.26 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.69 178.49 6.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.031 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -80.2 -56.37 4.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.545 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.54 145.1 49.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.856 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.524 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.7 m -138.7 123.42 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 121.132 0.491 . . . . 0.0 111.197 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -104.69 118.02 35.54 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.431 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.505 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.5 t -98.12 138.78 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 111.803 -178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.8 mtm105 -137.05 19.48 3.0 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.494 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -160.11 -150.92 6.0 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.431 -177.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -106.87 134.23 50.33 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 122.279 1.037 . . . . 0.0 113.404 -177.421 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.9 t -123.24 122.44 65.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 113.854 -1.521 . . . . 0.0 109.011 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.3 107.67 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.825 0.345 . . . . 0.0 110.573 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 155.8 -103.35 0.23 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -157.41 144.51 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.443 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.488 HG23 HD13 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -147.34 135.8 15.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.675 -179.715 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.4 m -133.34 131.66 40.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.208 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.2 m -165.11 158.03 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -70.33 -17.81 63.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -146.92 144.59 29.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.975 0.417 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.3 t -144.44 137.13 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.292 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -141.58 106.85 5.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.608 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mt -86.1 96.14 9.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.036 0.446 . . . . 0.0 111.706 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 92' ' ' VAL . 50.6 m-85 -94.02 163.02 13.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.552 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.604 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 63.04 -167.49 21.87 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.227 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.2 p -67.9 31.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.185 -0.507 . . . . 0.0 109.805 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.604 ' H ' ' C ' ' A' ' 109' ' ' GLY . 5.2 p -45.43 143.42 1.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.573 0.701 . . . . 0.0 112.032 -177.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -144.86 127.06 15.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.732 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.97 125.47 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 120.964 0.411 . . . . 0.0 111.032 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -132.96 105.21 6.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.5 -145.02 11.23 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.515 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -92.03 123.99 35.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.843 0.354 . . . . 0.0 110.631 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.488 HD13 HG23 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -116.7 139.46 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.83 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.2 m -148.37 136.37 20.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.951 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.538 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.2 OUTLIER 178.85 162.8 0.76 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.43 . . . . 0.0 110.788 -179.693 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -93.38 -36.54 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.694 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -128.38 139.57 52.31 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.583 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -152.53 149.62 28.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.088 0.47 . . . . 0.0 111.057 -179.149 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.446 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -144.05 128.19 17.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.695 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.568 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -104.81 119.03 38.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.245 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.465 ' N ' ' OE1' ' A' ' 125' ' ' GLU . 22.0 mp0 -103.94 157.93 16.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.284 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 t -41.39 144.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.731 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.37 0.19 80.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.42 115.88 28.4 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.169 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -129.52 102.04 6.21 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 12.8 p90 -132.99 122.78 24.73 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.88 99.82 7.17 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.86 175.36 34.41 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -83.39 109.14 17.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.2 t -91.07 112.99 25.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.0 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.9 mt -98.73 111.41 23.8 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.414 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -111.5 102.55 10.89 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -93.12 135.5 34.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -151.3 63.05 0.89 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.618 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mttp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.889 0.375 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.15 -22.23 11.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.37 154.32 38.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.486 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.9 m -163.88 162.55 23.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.773 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -140.51 128.27 21.74 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.957 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 34.5 mt -100.31 136.95 39.41 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.3 m -63.95 -170.45 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.97 -25.63 23.07 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.015 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.5 ' C ' HD22 ' A' ' 46' ' ' LEU . 2.8 m-20 -70.98 16.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.682 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -109.08 130.33 55.48 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.324 0.583 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.53 114.45 14.89 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.02 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.5 mm -86.82 146.04 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -135.05 138.85 44.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.367 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.28 -67.6 3.59 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.41 137.11 2.73 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -129.72 151.43 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.456 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 p -107.62 110.11 21.91 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.777 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.22 -146.08 19.48 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.479 ' N ' HG23 ' A' ' 70' ' ' VAL . 77.9 tt0 -173.25 156.44 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 0.0 110.624 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.86 -147.29 29.86 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.93 135.39 34.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.456 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.497 ' C ' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -142.12 108.16 5.2 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.556 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.478 ' N ' HD13 ' A' ' 58' ' ' LEU . 1.3 tm0? -97.53 101.93 13.57 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 60' ' ' ILE . 12.1 tt -98.85 116.44 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.321 -179.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 2.4 p30 -105.67 51.93 0.74 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.87 -159.79 8.47 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.5 p -108.5 112.01 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.059 0.457 . . . . 0.0 110.586 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.63 124.81 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.48 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -124.25 128.81 49.72 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.504 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.25 -159.57 16.83 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -89.83 128.49 36.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.813 0.34 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -116.88 126.56 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.559 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -123.59 118.9 28.38 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.466 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.628 HG22 ' N ' ' A' ' 71' ' ' GLY . 14.2 p -167.28 169.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.679 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.628 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -64.89 -77.41 0.25 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -114.84 118.77 34.46 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tt -109.28 125.64 52.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.686 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.8 p -127.58 124.77 38.94 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.648 0.261 . . . . 0.0 110.57 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 1.0 OUTLIER -83.35 114.96 24.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 121.29 0.567 . . . . 0.0 109.887 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.9 -158.04 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.978 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -77.17 -21.24 54.33 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.052 -0.574 . . . . 0.0 112.465 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.8 m -67.0 -27.11 67.16 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 119.451 -0.899 . . . . 0.0 108.84 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.85 37.03 61.03 Favored Glycine 0 CA--C 1.524 0.634 0 CA-C-O 118.674 -1.07 . . . . 0.0 114.606 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -110.3 112.64 24.73 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.643 1.722 . . . . 0.0 110.281 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -149.52 115.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.735 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -139.04 107.03 5.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.014 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.09 -155.31 26.39 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.439 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 10.4 t -102.0 119.01 38.1 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.67 123.54 57.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.956 0.407 . . . . 0.0 111.24 -179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 96.2 m-85 -121.79 118.03 28.02 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.872 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.07 167.88 17.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.784 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' OE1' ' A' ' 104' ' ' GLN . 5.6 mm-40 -80.21 -35.47 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.169 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.53 153.66 46.25 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.066 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.7 m -149.35 125.78 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.787 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -114.87 116.09 28.01 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.192 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.475 ' O ' ' O ' ' A' ' 108' ' ' TYR . 5.9 t -96.08 134.27 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.216 0.532 . . . . 0.0 112.426 -178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.438 ' H ' HG22 ' A' ' 75' ' ' VAL . 64.5 mtt-85 -136.97 18.97 3.0 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.03 -151.66 6.25 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.807 -177.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 74.5 mtp180 -107.69 134.46 50.64 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.938 0.875 . . . . 0.0 113.125 -177.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.4 p -138.13 130.45 39.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.31 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 97' ' ' VAL . 5.7 p -138.12 115.34 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.008 0.432 . . . . 0.0 110.979 -179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.91 -87.31 0.11 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.69 144.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 100' ' ' ILE . 6.2 pt -142.73 147.01 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 111.282 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.2 m -132.84 121.13 22.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.207 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 p -162.7 155.53 19.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.693 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -74.71 -31.99 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 88' ' ' GLU . 24.3 mp0 -125.99 132.89 51.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.337 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.44 135.03 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -138.14 111.48 8.01 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.773 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.3 93.88 9.27 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.338 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.475 ' O ' ' O ' ' A' ' 92' ' ' VAL . 32.3 m-85 -96.49 161.08 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.483 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.572 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 60.79 -162.7 21.04 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.286 178.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.4 p -67.57 32.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.041 -0.579 . . . . 0.0 110.31 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.572 ' H ' ' C ' ' A' ' 109' ' ' GLY . 15.3 t -45.14 129.29 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.281 0.562 . . . . 0.0 111.54 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -132.93 112.15 11.63 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.395 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.62 122.98 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.023 0.44 . . . . 0.0 110.425 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -132.72 107.93 8.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.3 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 151.07 -142.54 9.62 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.462 ' OD1' HD11 ' A' ' 135' ' ' LEU . 28.9 t0 -93.97 130.49 40.06 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.772 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.4 133.96 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.895 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.0 m -143.45 118.14 9.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.004 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.541 ' N ' ' CD2' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -166.58 155.6 10.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.091 0.472 . . . . 0.0 110.953 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -87.34 -43.29 12.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.608 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -117.76 136.29 53.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.584 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.14 149.45 41.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.128 0.489 . . . . 0.0 110.833 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -144.96 121.08 10.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.762 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 124' ' ' MET . 1.1 mmt -104.87 134.85 47.3 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 110.817 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 36.7 mp0 -125.11 164.99 19.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.483 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.5 m -48.97 140.39 9.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.376 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 92.73 -0.03 69.74 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.37 116.0 28.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -129.52 103.56 6.95 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 130' ' ' PHE . 9.2 p90 -130.89 114.86 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.406 ' N ' ' CD ' ' A' ' 131' ' ' GLN . 16.9 mp0 -114.46 100.23 8.15 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.37 176.06 33.86 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -82.43 108.83 16.14 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 34.9 t -86.81 117.95 25.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.721 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.462 HD11 ' OD1' ' A' ' 116' ' ' ASP . 26.7 mt -95.54 109.74 21.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.343 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -83.62 144.92 29.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 137' ' ' PHE . 53.9 p90 -73.08 128.91 36.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.706 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -163.45 -42.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.4 m -57.13 -28.53 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.45 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.61 78.32 3.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.546 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.3 t -67.77 154.09 42.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.366 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 42' ' ' LEU . 7.2 tp -140.68 111.99 7.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.58 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 42' ' ' LEU . 10.3 mp -101.66 120.75 40.82 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.277 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -52.61 179.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.722 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.51 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.6 -34.98 17.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -72.79 30.89 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 44' ' ' ALA . 5.5 tp -128.9 143.12 50.8 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.328 0.585 . . . . 0.0 111.106 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 t -133.68 135.83 44.34 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.011 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.56 145.24 7.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.17 0.509 . . . . 0.0 111.171 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -135.21 137.8 43.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.17 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 -109.11 2.97 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.04 123.53 1.31 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 m -106.24 149.99 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.771 0.32 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.6 t -142.72 145.8 33.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.497 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.551 ' O ' HG23 ' A' ' 70' ' ' VAL . . . 173.0 97.53 0.11 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -55.93 139.5 46.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.716 0.294 . . . . 0.0 110.618 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.75 -163.35 23.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.15 116.47 29.06 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 tp -112.43 108.61 17.81 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.826 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.71 102.21 13.26 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' GLY . 16.0 tt -109.91 135.07 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.096 0.474 . . . . 0.0 111.597 -178.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 78' ' ' THR . 28.4 t70 -125.14 47.12 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.436 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -142.15 -158.83 7.69 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.288 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.1 p -106.34 138.33 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.287 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.76 125.16 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 120.868 0.366 . . . . 0.0 111.305 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -124.81 91.33 3.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.322 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.02 -155.93 26.74 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.29 155.68 17.38 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.795 0.331 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.5 t -137.85 136.63 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -127.99 119.42 25.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.185 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.676 HG22 ' N ' ' A' ' 71' ' ' GLY . 13.5 p -168.06 171.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.877 0.37 . . . . 0.0 111.111 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.676 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -76.04 -66.67 1.82 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -114.67 122.78 47.51 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 74' ' ' THR . 2.1 tt -111.27 110.17 20.52 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.881 0.372 . . . . 0.0 110.611 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.506 ' N ' HD23 ' A' ' 73' ' ' LEU . 11.2 m -103.94 118.88 37.72 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.285 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.5 t -83.77 106.68 14.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.209 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.29 -162.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 CA-C-N 115.151 -0.932 . . . . 0.0 113.011 -178.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.496 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -84.12 -19.52 34.07 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.445 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.496 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 62.8 m -67.17 -26.76 66.8 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.857 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.23 37.56 65.06 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 114.963 -1.017 . . . . 0.0 114.172 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -112.38 113.67 25.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.818 1.309 . . . . 0.0 109.784 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -147.58 117.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.548 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -137.85 108.33 6.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.114 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.28 -155.8 26.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.404 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 8.2 t -104.74 118.24 36.07 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.9 t -97.58 126.06 50.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.054 0.454 . . . . 0.0 110.977 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.404 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 72.8 m-85 -127.49 117.22 21.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.829 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.56 178.41 7.38 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.798 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -91.62 -34.15 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.134 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.85 143.8 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.705 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -138.52 130.61 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.161 0.505 . . . . 0.0 111.452 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.486 ' CD ' HH21 ' A' ' 106' ' ' ARG . 20.5 mt-10 -115.43 106.39 13.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.273 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.509 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -88.39 135.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.439 . . . . 0.0 112.081 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.89 18.97 3.02 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.431 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -160.38 -153.26 6.86 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.74 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.3 mtp180 -108.59 139.7 43.0 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 -177.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.65 136.4 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.042 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.82 119.17 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.423 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.78 -99.61 0.19 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.89 148.25 15.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 pt -143.24 139.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.126 0.489 . . . . 0.0 111.256 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.6 m -133.2 117.36 17.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.579 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.6 t -159.68 166.77 29.89 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.481 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -73.65 -47.59 38.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.753 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -128.08 142.96 51.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.884 0.373 . . . . 0.0 110.806 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.576 ' O ' HG23 ' A' ' 105' ' ' VAL . 13.5 m -133.46 120.59 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.486 HH21 ' CD ' ' A' ' 91' ' ' GLU . 56.8 mtm-85 -118.45 107.89 14.36 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.526 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.57 96.57 10.14 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.134 0.492 . . . . 0.0 111.445 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.509 ' O ' ' O ' ' A' ' 92' ' ' VAL . 27.2 m-85 -93.39 162.78 13.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.177 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.604 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.12 177.8 5.2 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 110' ' ' THR . 2.6 p -71.06 28.84 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.604 ' H ' ' C ' ' A' ' 109' ' ' GLY . 74.2 m -48.34 158.15 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.853 -177.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -140.27 132.67 28.44 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.558 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.46 124.11 24.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -134.9 116.69 15.03 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.667 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.95 -154.08 25.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.13 134.4 35.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.696 0.284 . . . . 0.0 110.408 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.41 142.26 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 120.968 0.414 . . . . 0.0 110.445 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 43.4 p -149.71 89.3 1.61 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.877 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.776 ' CE1' HD11 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -140.09 160.83 39.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.7 -179.488 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 10.8 mp0 -100.73 -32.74 10.57 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.764 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.49 ' C ' HD22 ' A' ' 122' ' ' LEU . 3.5 mp0 -116.72 126.59 53.37 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.905 0.384 . . . . 0.0 110.274 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.776 HD11 ' CE1' ' A' ' 119' ' ' HIS . 4.2 mm? -104.34 134.15 48.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.386 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.408 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -151.55 128.6 11.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.778 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -143.39 139.61 30.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.73 -179.441 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -120.78 172.87 7.58 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.013 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.3 m -42.43 122.89 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.622 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 105.24 9.57 33.62 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.45 116.97 27.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.041 0.448 . . . . 0.0 111.225 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.42 104.74 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 130' ' ' PHE . 1.2 t80 -131.62 109.03 9.93 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.018 0.437 . . . . 0.0 111.997 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -131.7 100.27 5.06 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.46 178.19 33.92 Favored Glycine 0 C--N 1.317 -0.477 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -80.54 108.31 14.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.4 p -97.44 124.74 41.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.185 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 135' ' ' LEU . 10.4 mp -99.32 122.08 41.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.032 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -83.69 118.94 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.435 ' CD1' ' OE2' ' A' ' 120' ' ' GLU . 49.3 t80 -45.01 134.6 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -68.7 -169.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.715 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.692 179.78 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.732 0.301 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 42' ' ' LEU . 1.9 tt -141.86 110.91 6.28 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.581 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.525 ' N ' HD23 ' A' ' 41' ' ' LEU . 10.1 mp -100.05 113.17 25.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' HD12 ' A' ' 46' ' ' LEU . 70.1 m -52.16 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.36 -28.46 22.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -72.96 24.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.322 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 44' ' ' ALA . 45.4 mt -122.88 142.75 50.44 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.361 0.6 . . . . 0.0 111.026 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.29 135.03 38.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.4 mm -87.59 144.79 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.749 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.28 138.36 43.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.47 -95.12 0.51 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.41 141.29 6.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -135.66 145.78 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -109.79 169.34 8.78 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.466 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.32 -179.6 48.76 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -144.66 149.71 36.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.53 -155.25 27.97 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -88.88 134.0 34.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.961 0.41 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -119.08 107.23 13.24 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.551 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.426 HE22 HG22 ' A' ' 74' ' ' THR . 69.9 tp60 -92.36 113.75 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 60' ' ' ILE . 16.1 tt -129.38 127.84 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.173 0.511 . . . . 0.0 111.823 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 42' ' ' LEU . 10.3 p-10 -121.81 48.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.405 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -138.0 -159.63 8.21 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.402 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 m -106.35 134.87 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.333 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.67 120.33 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 120.921 0.391 . . . . 0.0 110.742 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.84 90.79 3.31 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.3 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.7 -139.65 8.4 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.91 158.86 17.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.5 t -145.75 130.61 12.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -128.73 121.88 29.42 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.881 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.622 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.3 p -167.73 173.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.058 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.622 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -78.96 -68.62 1.47 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.661 -0.975 . . . . 0.0 110.661 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -112.19 142.34 44.78 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 74' ' ' THR . 2.1 tt -135.14 114.17 12.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 111.418 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.575 ' N ' HD23 ' A' ' 73' ' ' LEU . 16.8 m -106.34 118.45 36.69 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.713 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.8 t -83.23 108.4 15.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.295 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.53 -161.52 0.01 OUTLIER Glycine 0 CA--C 1.526 0.753 0 CA-C-N 115.177 -0.92 . . . . 0.0 113.093 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -84.45 -20.83 31.14 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.4 m -66.86 -27.2 67.34 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.802 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.92 38.99 66.56 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-O 118.862 -0.965 . . . . 0.0 114.069 175.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -115.58 114.53 25.06 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.156 1.478 . . . . 0.0 110.89 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.88 113.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.396 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -131.64 107.94 9.17 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.347 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.79 -155.86 26.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -113.85 115.73 28.19 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.4 p -109.56 130.69 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.189 0.518 . . . . 0.0 111.282 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -121.01 118.08 28.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.488 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.22 176.65 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.76 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 88' ' ' GLU . 1.3 mm-40 -91.42 -36.43 13.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.734 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.72 144.81 25.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.1 m -147.1 140.78 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 121.169 0.509 . . . . 0.0 111.708 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -117.09 110.52 18.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.022 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -88.15 134.9 26.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.547 . . . . 0.0 112.032 -178.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -135.19 18.66 3.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.436 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -160.58 -154.11 7.23 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.121 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 59.8 mtt-85 -108.21 133.47 52.41 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.15 0.976 . . . . 0.0 113.36 -177.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.03 108.66 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.656 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.438 HG12 ' CB ' ' A' ' 114' ' ' ASP . 35.9 m -117.9 128.3 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.973 0.416 . . . . 0.0 110.839 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.34 -92.69 0.13 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.12 136.16 6.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 110.389 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 tt -131.47 139.58 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.2 m -133.42 106.56 7.55 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.75 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.0 m -162.14 139.29 8.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 0.0 110.689 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -68.58 -23.52 64.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -126.12 127.43 45.76 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.716 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -146.88 136.58 16.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.61 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -140.37 115.01 9.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.793 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 107' ' ' LEU . 10.7 mp -84.35 95.5 8.76 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 111.144 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 92' ' ' VAL . 20.0 m-85 -94.21 161.58 14.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.724 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.606 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.6 178.59 6.26 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.891 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.0 p -70.82 27.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.606 ' H ' ' C ' ' A' ' 109' ' ' GLY . 17.1 p -52.05 169.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.678 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.519 ' CD2' ' O ' ' A' ' 129' ' ' PHE . 6.6 t80 -149.43 145.93 27.19 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.231 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 t -138.76 125.67 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.928 0.394 . . . . 0.0 110.717 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.438 ' CB ' HG12 ' A' ' 97' ' ' VAL . 5.8 t0 -133.94 108.31 8.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.681 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.16 -159.89 29.71 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -88.37 117.29 27.19 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.4 mt -105.41 142.44 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.196 0.522 . . . . 0.0 110.888 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.3 m -144.47 102.12 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.587 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.461 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -147.44 143.81 28.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.02 0.438 . . . . 0.0 111.337 -179.247 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -82.5 -45.18 15.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.822 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -117.05 124.83 50.23 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.628 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 122' ' ' LEU . 0.5 OUTLIER -135.91 149.32 48.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.185 0.517 . . . . 0.0 111.182 -179.064 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -139.51 130.46 26.29 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.889 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.4 mmt -105.1 123.59 48.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -115.23 147.21 40.64 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.976 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -39.74 118.87 0.91 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.937 0.398 . . . . 0.0 110.839 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 116.08 3.99 18.99 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.66 115.04 27.72 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.828 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.519 ' O ' ' CD2' ' A' ' 112' ' ' TYR . 79.0 m-85 -130.37 102.41 6.17 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 18.4 p90 -132.61 123.3 26.16 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -120.42 99.73 6.74 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.53 176.36 33.9 Favored Glycine 0 C--N 1.319 -0.411 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -83.47 108.44 16.62 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.0 m -98.74 140.77 32.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.616 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.109 179.755 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.422 ' OG ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 42' ' ' LEU . 12.4 tp -137.81 110.06 7.36 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.837 0.351 . . . . 0.0 111.071 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 42' ' ' LEU . 9.6 mp -101.93 123.1 45.27 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.138 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 m -58.82 -172.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.53 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.84 -25.99 20.75 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.791 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.47 29.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.39 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.53 ' H ' ' C ' ' A' ' 44' ' ' ALA . 75.9 mt -126.04 128.46 47.45 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.318 0.58 . . . . 0.0 111.147 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.42 109.72 13.07 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.464 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.7 mt -86.15 136.8 22.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.037 0.446 . . . . 0.0 111.232 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -135.54 139.46 43.96 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.351 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.13 -110.91 4.0 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.33 101.86 0.21 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.46 147.87 4.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.51 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.9 p -123.01 151.24 42.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.457 ' H ' HH21 ' A' ' 69' ' ' ARG . . . -169.77 -177.93 40.53 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -143.54 -173.38 3.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.807 0.337 . . . . 0.0 110.483 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 53.99 -141.08 33.85 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -106.11 139.83 40.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.814 0.34 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.462 HD11 HD13 ' A' ' 42' ' ' LEU . 51.1 tp -132.57 110.47 10.49 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -95.76 103.14 15.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.703 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.4 tt -108.81 139.61 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.302 0.572 . . . . 0.0 111.645 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' OG1' ' A' ' 78' ' ' THR . 36.5 t70 -129.61 53.64 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.862 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -149.17 -159.81 8.79 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.86 136.98 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 110.568 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 64' ' ' VAL . 16.9 m -135.39 125.8 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 121.01 0.433 . . . . 0.0 110.852 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -124.57 110.25 14.22 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.77 -156.63 25.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.61 140.62 30.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.952 0.406 . . . . 0.0 110.245 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -128.09 112.28 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.505 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.476 ' C ' ' HE ' ' A' ' 69' ' ' ARG . 1.2 tmm_? -112.32 116.0 29.67 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.44 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.581 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.4 p -165.04 169.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.522 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.581 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -71.43 -67.79 1.78 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -124.7 119.83 30.07 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.352 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.9 tp -103.61 121.87 43.81 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.67 118.25 34.51 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.622 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.51 109.13 16.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.051 0.453 . . . . 0.0 110.859 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.62 -157.5 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 CA-C-N 114.701 -1.136 . . . . 0.0 113.075 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 15.4 mt-10 -84.37 -23.59 30.06 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -178.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.444 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 7.4 p -66.98 -26.62 66.9 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 119.044 -1.062 . . . . 0.0 108.954 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.67 39.19 75.02 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.032 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 78' ' ' THR . 63.4 m80 -108.42 111.45 23.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.364 1.582 . . . . 0.0 110.766 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -149.6 112.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.768 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -138.97 106.76 5.64 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.202 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.87 -155.39 26.45 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.4 p -99.11 116.06 30.46 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.44 134.11 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.66 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -132.31 118.05 18.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.053 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.47 178.03 7.05 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.223 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -94.57 -42.3 8.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.531 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.01 139.16 51.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.47 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.98 111.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -105.59 107.51 18.54 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.6 t -87.81 135.56 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.276 0.56 . . . . 0.0 112.336 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -135.98 20.27 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.471 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.0 -153.67 6.91 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.183 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 27.5 mtm180 -108.02 140.03 41.78 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.367 1.08 . . . . 0.0 113.716 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.26 128.19 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 114.025 -1.443 . . . . 0.0 108.973 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.8 m -138.94 116.16 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 111.347 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.97 -89.29 0.12 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -166.81 147.12 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.2 pt -146.49 141.91 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 111.098 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.8 m -132.89 118.5 19.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.852 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.1 m -158.58 164.48 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.185 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.522 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.0 mptt -75.89 -47.14 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.559 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -134.3 134.23 41.64 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.734 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.14 132.77 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -123.52 132.54 53.93 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.812 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.64 ' N ' HD12 ' A' ' 107' ' ' LEU . 8.9 mp -89.73 96.39 10.67 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.338 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 92' ' ' VAL . 16.4 m-85 -93.64 161.77 14.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.636 178.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.626 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 66.47 176.8 7.57 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.866 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -70.23 28.17 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.626 ' H ' ' C ' ' A' ' 109' ' ' GLY . 20.6 t -52.68 169.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.9 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.435 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 5.1 t80 -149.43 146.43 27.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.046 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.55 121.86 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 120.902 0.382 . . . . 0.0 110.674 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -133.32 108.75 8.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.67 -160.0 29.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.33 122.03 31.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.721 0.296 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.74 133.83 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.043 0.449 . . . . 0.0 110.704 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.6 m -131.03 97.14 4.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.514 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.477 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -144.89 161.66 38.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.999 0.428 . . . . 0.0 111.114 -178.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -99.43 -45.37 5.86 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.728 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -118.07 134.43 54.99 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.783 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.0 149.76 31.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 111.025 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.51 145.24 44.87 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.848 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.546 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 21.7 mmt -117.4 113.06 21.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -102.9 156.58 17.56 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.37 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 126' ' ' THR . 7.0 t -44.58 121.38 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 112.25 3.36 26.03 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.59 115.56 28.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.772 0.32 . . . . 0.0 111.366 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 48.5 m-85 -129.52 101.79 6.1 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.546 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 21.6 p90 -132.6 120.54 21.94 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -120.6 100.42 7.12 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.8 176.28 33.36 Favored Glycine 0 C--N 1.318 -0.431 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -82.48 108.8 16.16 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 25.1 t -85.26 146.79 26.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.01 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 135' ' ' LEU . 2.5 tt . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.546 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.445 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.2 m . . . . . 0 N--CA 1.466 0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.4 mp -102.15 120.95 41.29 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.348 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 50.2 mt -116.37 116.1 27.1 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.314 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.4 p -61.93 -168.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -84.26 -26.01 28.95 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.454 ' C ' HD22 ' A' ' 46' ' ' LEU . 69.1 m-20 -68.67 7.48 0.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.0 mm? -101.89 131.51 48.21 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.322 0.582 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 109.74 9.34 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.925 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.8 mt -86.51 142.37 13.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.944 0.402 . . . . 0.0 110.783 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -136.07 140.61 43.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.593 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.1 -90.78 1.52 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.92 119.29 0.54 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -101.79 151.24 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.612 0.244 . . . . 0.0 110.371 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 128.27 24.82 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.869 0.366 . . . . 0.0 110.556 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.25 109.09 0.24 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -53.85 174.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.754 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.12 -173.56 23.42 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -89.94 134.47 34.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.9 tp -130.46 106.77 8.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.91 0.386 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.92 101.92 13.48 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 76' ' ' GLY . 12.4 tt -113.34 130.9 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.337 0.589 . . . . 0.0 112.334 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.462 ' O ' ' OG1' ' A' ' 78' ' ' THR . 5.5 p-10 -122.78 60.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.92 -158.35 8.77 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.44 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.4 t -105.54 113.08 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.464 -0.368 . . . . 0.0 110.631 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.5 p -115.33 121.08 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 121.058 0.456 . . . . 0.0 110.204 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -124.47 132.23 53.49 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.51 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.85 -157.68 18.3 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.4 118.67 31.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.835 0.35 . . . . 0.0 110.611 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 t -109.67 120.21 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.679 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -118.16 111.9 19.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 71' ' ' GLY . 75.7 t -154.33 161.76 2.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 110.617 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.557 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -70.54 -49.81 29.05 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.42 ' H ' HG12 ' A' ' 70' ' ' VAL . 28.3 mtt180 -134.14 119.04 18.38 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.67 113.87 26.52 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.3 m -105.44 120.62 42.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.713 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.95 108.16 15.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.08 0.467 . . . . 0.0 110.586 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -53.53 -158.47 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 CA-C-N 114.904 -1.044 . . . . 0.0 113.216 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -84.88 -23.66 28.86 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 7.6 m -66.86 -25.96 66.66 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.137 -1.025 . . . . 0.0 109.087 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.59 38.58 71.93 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-O 118.768 -1.018 . . . . 0.0 114.523 175.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -112.61 113.28 25.35 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.335 1.567 . . . . 0.0 110.474 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.6 t -146.65 115.68 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.52 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -139.34 108.02 5.92 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.607 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.89 -155.53 26.59 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -102.15 115.91 31.55 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.8 t -103.15 134.91 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 121.051 0.453 . . . . 0.0 111.33 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -133.87 117.84 17.27 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.572 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.32 177.29 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.15 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -94.26 -43.4 8.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.08 140.65 50.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.277 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.45 111.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.585 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -103.87 105.68 15.95 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' A' ' 108' ' ' TYR . 51.7 t -88.56 136.49 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.205 0.526 . . . . 0.0 111.648 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -136.15 20.92 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.02 -151.07 5.99 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.676 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' GLY . 34.9 mtp180 -107.79 133.89 51.53 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.934 0.873 . . . . 0.0 112.991 -177.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 p -139.77 126.83 24.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.723 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 97' ' ' VAL . 33.4 m -138.75 127.57 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.613 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.28 -96.97 0.17 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.76 133.52 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.06 138.26 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.618 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.5 m -133.21 139.42 46.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.373 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.466 ' OG ' ' CG2' ' A' ' 105' ' ' VAL . 7.1 p -172.15 172.36 4.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.468 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.7 mptt -82.58 -42.55 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.555 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.675 HE22 ' NE2' ' A' ' 121' ' ' GLN . 7.2 tp-100 -125.91 126.26 44.11 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.449 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.466 ' CG2' ' OG ' ' A' ' 102' ' ' SER . 92.3 t -132.88 128.96 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -131.02 119.21 21.7 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.908 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 107' ' ' LEU . 9.2 mp -86.57 95.76 9.86 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.182 0.515 . . . . 0.0 110.843 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.52 ' CD2' ' OE2' ' A' ' 125' ' ' GLU . 16.4 m-85 -93.95 162.65 13.81 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.289 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.602 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.17 -159.55 4.92 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.269 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 t -67.36 31.53 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.219 -0.49 . . . . 0.0 110.217 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.602 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.1 p -45.49 134.54 6.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.402 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 129' ' ' PHE . 49.3 t80 -138.03 116.75 12.23 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.072 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -121.45 120.56 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 120.985 0.422 . . . . 0.0 110.71 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -132.94 105.68 7.24 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.67 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.45 -154.12 25.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -92.29 116.17 28.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.652 0.263 . . . . 0.0 110.468 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.6 tt -120.16 134.39 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.336 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.2 m -131.96 132.86 43.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.509 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.498 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -170.28 168.82 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.552 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -100.42 -36.55 9.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.675 ' NE2' HE22 ' A' ' 104' ' ' GLN . 22.1 mt-30 -126.44 133.14 51.31 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.0 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.23 149.28 44.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.416 . . . . 0.0 110.851 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.13 137.39 44.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.778 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.613 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.3 mmt -113.59 124.82 53.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.52 ' OE2' ' CD2' ' A' ' 108' ' ' TYR . 24.3 tt0 -120.44 151.91 38.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.164 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -40.06 137.02 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.848 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 93.92 1.68 65.2 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.24 116.27 28.69 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.66 0.267 . . . . 0.0 111.307 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.415 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 27.2 m-85 -130.43 103.5 6.7 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.613 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 3.6 p90 -132.74 119.22 20.05 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -120.06 100.17 7.04 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.95 176.81 33.31 Favored Glycine 0 C--N 1.32 -0.328 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -81.76 109.34 16.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.4 t -89.96 112.98 24.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.755 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.443 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.714 0.292 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.5 tp -135.74 126.74 27.8 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.348 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -118.1 136.36 53.63 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.455 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -64.61 -178.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.52 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.55 -18.06 27.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.09 25.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.187 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 44' ' ' ALA . 12.7 mt -128.02 142.05 51.34 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.391 0.615 . . . . 0.0 110.951 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.2 p -136.61 128.19 28.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.18 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.2 mm -86.7 136.6 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.862 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -134.87 139.35 44.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.302 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.55 -100.14 2.63 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.89 116.31 0.7 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.51 151.18 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 t -145.17 130.99 19.08 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.606 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . 176.01 93.57 0.09 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 54' ' ' GLY . 19.6 mm-40 -48.37 178.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.766 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.85 -175.98 40.62 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -90.23 116.05 27.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.524 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 tp -116.52 112.05 20.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.566 HE22 ' CA ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -98.27 112.48 24.46 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.289 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.557 HD13 ' CG2' ' A' ' 64' ' ' VAL . 11.5 tt -118.36 133.5 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.129 0.49 . . . . 0.0 111.621 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 78' ' ' THR . 25.0 t70 -117.27 50.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.065 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.77 -158.26 7.47 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.29 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 t -105.9 111.22 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 114.813 -0.693 . . . . 0.0 110.393 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.557 ' CG2' HD13 ' A' ' 60' ' ' ILE . 76.7 t -96.7 117.55 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.667 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -124.24 129.27 50.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.363 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.75 -150.95 18.03 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.48 150.45 22.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.851 0.358 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 t -134.56 125.1 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.423 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -128.4 119.69 25.47 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.673 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.586 HG22 ' N ' ' A' ' 71' ' ' GLY . 5.2 p -167.99 163.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.662 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.586 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -68.7 -50.36 36.95 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.417 ' H ' HG22 ' A' ' 70' ' ' VAL . 37.3 mtt85 -136.27 118.63 15.7 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.898 0.38 . . . . 0.0 110.061 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.0 tp -102.84 115.4 30.52 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.622 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.1 m -110.95 115.82 30.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.869 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.3 t -82.91 110.52 18.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.117 0.484 . . . . 0.0 110.7 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.566 ' CA ' HE22 ' A' ' 59' ' ' GLN . . . -51.62 -158.47 0.01 OUTLIER Glycine 0 CA--C 1.526 0.75 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.767 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 45.5 mt-10 -85.0 -18.31 34.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.552 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 93.6 m -67.27 -26.38 66.52 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.33 -0.948 . . . . 0.0 108.904 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.01 37.99 64.41 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 114.972 -1.013 . . . . 0.0 113.839 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -114.73 113.63 24.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.978 1.389 . . . . 0.0 110.712 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.4 t -147.87 111.48 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.515 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -133.15 107.45 8.2 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.855 0.359 . . . . 0.0 110.205 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.99 -155.6 26.67 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 p -101.54 127.11 48.39 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.8 t -112.15 134.24 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.917 0.389 . . . . 0.0 111.527 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -130.54 118.71 21.47 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.657 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.44 166.49 14.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.19 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -87.1 -32.57 19.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.728 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.67 140.57 48.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.554 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.2 111.27 4.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.043 0.449 . . . . 0.0 111.247 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -110.47 114.96 28.79 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.24 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.617 HG12 ' H ' ' A' ' 94' ' ' GLY . 18.1 t -103.92 136.45 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.159 0.504 . . . . 0.0 111.893 -178.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -129.97 20.06 5.46 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.617 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.65 -151.64 6.22 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.401 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 79' ' ' GLY . 64.6 mtm180 -107.01 134.48 50.1 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.289 1.042 . . . . 0.0 113.348 -177.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 p -138.03 128.54 36.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 113.994 -1.457 . . . . 0.0 109.199 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 97' ' ' VAL . 27.8 m -138.63 125.79 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 110.969 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.49 -99.03 0.19 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.78 137.33 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 pt -142.36 143.11 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.811 0.338 . . . . 0.0 111.184 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 101' ' ' THR . 12.9 t -133.3 121.11 21.94 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.237 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.4 t -160.18 152.61 20.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.519 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.0 mptt -67.92 -33.37 74.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.738 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -134.09 138.06 45.03 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.448 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.3 t -138.61 128.15 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -127.96 110.53 12.62 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.835 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.817 ' N ' HD22 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -87.91 96.85 10.64 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.119 0.485 . . . . 0.0 111.058 -179.144 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 14.4 m-85 -93.56 162.5 13.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.103 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.628 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 68.2 176.12 10.43 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.615 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -71.15 28.22 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.628 ' H ' ' C ' ' A' ' 109' ' ' GLY . 38.3 p -49.33 157.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.133 -0.939 . . . . 0.0 113.307 -177.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -132.94 128.31 36.2 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.921 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 117' ' ' ILE . 57.6 t -123.68 121.53 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.989 0.424 . . . . 0.0 110.901 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -134.16 107.61 7.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.99 -163.75 34.99 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -97.75 117.43 32.04 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.793 0.33 . . . . 0.0 110.197 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.569 HD12 ' CZ ' ' A' ' 130' ' ' PHE . 7.6 mt -102.53 142.56 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.189 0.519 . . . . 0.0 110.971 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.9 m -133.45 86.99 2.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.709 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.516 ' CE1' HD22 ' A' ' 122' ' ' LEU . 0.0 OUTLIER -137.99 161.7 36.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.038 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -99.95 -28.56 13.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.04 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -130.13 129.41 43.49 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.184 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.516 HD22 ' CE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -125.16 149.12 48.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.38 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.25 120.81 12.51 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.207 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.0 mtp -104.99 126.84 52.49 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 110.713 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 13.3 mp0 -117.15 162.78 17.3 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.322 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.2 p -41.49 122.25 1.88 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.469 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 97.18 9.27 55.88 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.34 116.1 24.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 111.021 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -129.0 106.91 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 117' ' ' ILE . 2.0 t80 -131.56 108.74 9.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -125.34 99.12 5.92 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.99 177.89 34.52 Favored Glycine 0 C--N 1.32 -0.346 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -81.44 108.48 15.08 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 t -91.75 129.82 37.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.532 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.828 0.346 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.629 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -135.45 143.14 45.74 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.309 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 mt -119.82 123.71 44.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.5 p -52.52 -179.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.057 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.36 -37.71 14.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.928 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 p-10 -71.49 29.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.801 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.4 tp -121.15 141.26 50.99 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.243 0.544 . . . . 0.0 111.106 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.6 m -133.2 132.29 41.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.933 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.695 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.5 mp -86.47 142.43 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.621 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -135.65 140.24 44.38 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.924 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.65 -107.13 2.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.43 128.23 1.97 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 52' ' ' VAL . 11.7 p -124.3 127.66 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.907 0.384 . . . . 0.0 110.663 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 t -105.25 155.99 18.54 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.64 -162.84 16.45 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -163.84 156.33 17.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.45 -155.28 32.25 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -88.58 135.06 33.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 110.463 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 tp -135.73 111.84 9.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -88.65 101.53 14.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.981 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.1 tp -100.63 104.23 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 121.153 0.501 . . . . 0.0 110.584 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 78' ' ' THR . 31.9 t70 -105.87 41.76 1.35 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 80' ' ' HIS . . . -138.61 -160.13 8.31 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.464 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.7 p -107.32 119.9 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.184 0.516 . . . . 0.0 110.448 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -95.41 118.97 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 48' ' ' ILE . 22.7 tptp -122.78 104.14 9.1 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.46 -145.39 16.35 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 6.1 t70 -108.05 148.55 29.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.515 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.459 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 10.6 p -146.66 135.4 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.645 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -127.15 132.99 50.42 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.332 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.634 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.8 p -168.02 174.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.525 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.634 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -76.46 -73.69 1.0 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -113.66 119.57 37.9 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.415 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -102.15 122.85 44.95 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.964 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.4 m -116.05 115.41 26.06 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.841 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.7 t -83.24 107.15 14.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.025 0.441 . . . . 0.0 110.847 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -53.12 -158.81 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.507 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -84.9 -17.29 38.32 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.431 HG22 ' ND1' ' A' ' 80' ' ' HIS . 34.6 m -67.35 -26.88 66.7 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.987 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.75 38.12 63.41 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 114.969 -1.014 . . . . 0.0 114.301 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.431 ' ND1' HG22 ' A' ' 78' ' ' THR . 34.6 m170 -116.03 114.18 24.23 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.991 1.396 . . . . 0.0 110.399 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.9 t -147.77 111.12 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.974 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -139.04 109.48 6.54 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.048 0.452 . . . . 0.0 111.085 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.63 -155.78 26.9 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -100.78 115.71 30.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.48 133.25 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 110.985 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -133.39 117.46 17.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.637 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.3 175.85 11.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 110.932 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.66 -43.43 11.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.308 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.3 146.42 38.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.764 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 90' ' ' VAL . 3.3 m -146.16 127.32 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.029 0.442 . . . . 0.0 111.477 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -108.92 122.85 48.09 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 94' ' ' GLY . 3.6 t -103.83 136.49 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.331 0.586 . . . . 0.0 112.155 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -135.12 19.82 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.537 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.47 -152.09 6.36 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.23 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -107.99 137.34 46.15 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.03 125.01 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-N 113.661 -1.609 . . . . 0.0 108.968 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.18 108.95 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 110.439 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.62 -94.74 0.14 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -169.0 140.12 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 pt -143.89 149.22 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.002 0.43 . . . . 0.0 111.608 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.9 m -132.03 116.92 17.7 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.283 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.2 p -152.56 147.57 26.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -76.08 -21.91 56.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -147.13 135.33 21.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.144 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.406 HG23 HG23 ' A' ' 90' ' ' VAL . 3.5 p -148.91 146.21 17.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.22 0.533 . . . . 0.0 111.152 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -138.59 117.08 12.06 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.245 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.3 96.76 9.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.067 0.461 . . . . 0.0 111.883 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 92' ' ' VAL . 16.4 m-85 -93.43 161.36 14.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.555 178.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.59 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 68.88 175.92 11.61 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.606 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.9 p -71.26 28.26 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.182 0.515 . . . . 0.0 109.89 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.59 ' H ' ' C ' ' A' ' 109' ' ' GLY . 20.9 p -49.5 158.43 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.403 -0.817 . . . . 0.0 113.145 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -140.59 109.56 6.08 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.628 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.0 t -112.8 116.44 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.067 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.433 ' OD2' ' O ' ' A' ' 131' ' ' GLN . 3.2 t70 -133.78 127.71 33.27 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.548 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 146.28 -172.12 26.96 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -75.91 104.27 6.37 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 17.2 tt -109.79 142.31 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.038 0.447 . . . . 0.0 111.377 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.2 m -132.47 121.36 23.25 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.407 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 155.08 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.717 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 1.1 mp0 -96.95 -46.67 6.12 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.361 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -118.26 128.22 54.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.306 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.405 ' N ' HD23 ' A' ' 122' ' ' LEU . 0.2 OUTLIER -138.15 140.24 39.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.078 0.466 . . . . 0.0 111.0 -179.25 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -126.32 151.11 47.99 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.73 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.1 mtp -132.85 112.74 12.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.755 0.312 . . . . 0.0 110.843 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 5.6 mp0 -101.32 170.62 8.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.176 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.0 t -44.9 129.54 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 91.9 9.24 62.67 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.99 116.71 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.109 0.48 . . . . 0.0 110.788 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -128.62 119.23 24.34 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 130' ' ' PHE . 40.3 t80 -131.96 111.89 11.93 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.433 ' O ' ' OD2' ' A' ' 114' ' ' ASP . 70.7 mm-40 -128.46 97.6 4.77 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 174.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.49 176.67 35.39 Favored Glycine 0 C--N 1.321 -0.26 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.459 HH11 HD11 ' A' ' 135' ' ' LEU . 77.1 ttt-85 -83.19 109.56 17.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.4 t -86.44 126.04 34.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.165 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.475 HD12 ' N ' ' A' ' 135' ' ' LEU . 8.5 mp . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.841 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' HD12 ' A' ' 41' ' ' LEU . 74.1 m . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.805 0.336 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.3 mp -101.02 109.95 21.91 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 42' ' ' LEU . 9.4 mp -93.47 119.75 32.92 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.278 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.9 m -51.07 169.15 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.599 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -86.67 -24.0 25.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -74.94 27.48 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.979 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 44' ' ' ALA . 33.0 mt -126.69 145.57 50.53 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 121.384 0.611 . . . . 0.0 110.986 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.448 HG22 ' CG1' ' A' ' 63' ' ' VAL . 11.1 p -130.28 133.49 46.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.635 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.451 ' O ' ' O ' ' A' ' 65' ' ' LYS . 19.5 mm -86.48 135.08 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.792 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -134.75 130.97 37.01 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.0 -108.14 3.44 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.96 118.78 0.86 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.09 149.54 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.595 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.59 149.37 52.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 70' ' ' VAL . . . -178.77 64.85 0.08 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -42.31 118.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.657 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.504 ' H ' ' H ' ' A' ' 71' ' ' GLY . . . 139.6 -166.53 25.55 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -79.41 113.38 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.395 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.2 tp -118.02 107.56 14.18 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.623 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' A' ' 61' ' ' ASP . 1.1 tm0? -98.52 118.24 34.77 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 62' ' ' GLY . 10.7 tt -127.92 130.56 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.18 0.514 . . . . 0.0 111.487 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -119.19 48.71 1.44 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.405 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -138.07 -159.42 8.13 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.194 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.448 ' CG1' HG22 ' A' ' 47' ' ' THR . 3.4 p -106.71 125.73 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.519 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -100.18 117.77 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.014 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.3 tppt? -124.65 91.04 3.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.312 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.64 -140.78 9.21 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 11.8 t0 -110.53 152.44 26.38 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.751 0.31 . . . . 0.0 110.683 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.519 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 56.8 t -144.03 126.05 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.451 ' O ' HG23 ' A' ' 70' ' ' VAL . 15.5 ttp180 -126.56 114.25 17.85 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.555 HG12 ' N ' ' A' ' 71' ' ' GLY . 53.9 t -155.99 162.09 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.888 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.555 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -60.56 -56.02 26.69 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.559 ' HE ' ' CG2' ' A' ' 74' ' ' THR . 33.0 ttt180 -130.23 141.43 50.63 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 74' ' ' THR . 1.8 tt -129.08 113.34 15.01 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.892 0.377 . . . . 0.0 110.993 -179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.559 ' CG2' ' HE ' ' A' ' 72' ' ' ARG . 20.2 p -110.12 121.01 44.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.815 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.09 112.5 20.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.144 0.497 . . . . 0.0 110.943 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -51.92 -161.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.702 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.909 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -84.92 -20.2 31.06 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.167 -0.517 . . . . 0.0 112.362 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.2 m -66.95 -26.05 66.64 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.281 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.21 38.62 78.34 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-O 118.801 -1.0 . . . . 0.0 114.869 176.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -115.16 113.98 24.68 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.236 1.518 . . . . 0.0 110.059 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.4 t -147.79 111.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.023 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -136.02 108.22 7.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.888 0.375 . . . . 0.0 110.288 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.1 -155.44 26.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 t -99.48 115.9 30.36 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 t -104.33 131.35 53.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.033 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -132.29 117.6 18.39 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.915 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.98 170.71 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.8 -36.67 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.078 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.22 138.8 50.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.482 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 t -140.91 125.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.173 0.511 . . . . 0.0 111.551 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' OE1' ' NH2' ' A' ' 72' ' ' ARG . 68.3 mt-10 -123.48 106.45 10.63 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 94' ' ' GLY . 2.5 t -88.81 139.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.203 0.525 . . . . 0.0 111.89 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -135.91 19.22 3.25 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.525 ' N ' ' OG ' ' A' ' 111' ' ' SER . . . -160.87 -151.7 6.32 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.233 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' GLY . 26.6 mtm180 -107.63 133.35 52.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 122.102 0.953 . . . . 0.0 113.169 -177.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.26 113.86 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 114.209 -1.359 . . . . 0.0 109.472 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 97' ' ' VAL . 13.1 m -128.7 126.81 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.949 0.404 . . . . 0.0 110.743 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.9 -94.55 0.15 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.4 137.6 9.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.2 pt -143.85 140.36 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.087 0.47 . . . . 0.0 111.546 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.3 m -132.91 127.0 33.37 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.136 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.416 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 21.3 m -164.87 170.83 14.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.825 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -82.26 -47.73 12.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -126.12 137.77 53.63 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.578 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.06 137.7 46.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.061 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -136.43 107.25 6.62 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.894 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -81.4 96.75 7.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.168 0.509 . . . . 0.0 111.128 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.486 ' O ' ' O ' ' A' ' 92' ' ' VAL . 19.1 m-85 -93.47 162.77 13.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.184 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.627 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 67.17 174.53 6.86 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.338 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.4 p -70.23 27.76 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.303 0.573 . . . . 0.0 109.638 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.627 ' H ' ' C ' ' A' ' 109' ' ' GLY . 32.0 m -53.27 160.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.687 -177.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -130.64 150.97 51.59 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.987 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 62.0 t -141.99 118.8 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -134.68 107.55 7.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.08 -159.03 30.72 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -92.88 117.7 30.32 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.69 142.68 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.333 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.547 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 8.7 m -149.66 112.43 4.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.628 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.547 ' ND1' ' O ' ' A' ' 118' ' ' THR . 52.8 m-70 -154.68 174.24 15.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.063 0.459 . . . . 0.0 111.056 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -99.45 -25.66 14.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.242 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.547 ' C ' HD22 ' A' ' 122' ' ' LEU . 41.7 mt-30 -137.93 123.38 19.57 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.071 0.462 . . . . 0.0 110.61 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.715 HD22 ' N ' ' A' ' 122' ' ' LEU . 2.7 mm? -105.48 147.7 28.01 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.0 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -150.65 118.86 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.395 . . . . 0.0 110.429 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.2 mmm -106.43 124.45 49.62 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -113.45 164.27 13.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.364 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.7 m -43.23 128.89 4.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.436 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 89.82 9.4 66.17 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.52 116.85 24.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.472 . . . . 0.0 111.076 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -128.14 105.64 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -128.58 108.8 10.81 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 111.937 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -127.67 98.86 5.35 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.25 178.63 34.42 Favored Glycine 0 C--N 1.319 -0.373 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.425 ' HE ' HD21 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -81.0 108.69 14.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 177.295 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 t -89.95 131.63 35.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.634 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.425 HD21 ' HE ' ' A' ' 133' ' ' ARG . 92.5 mt . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.622 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 120.849 0.357 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' C ' HD22 ' A' ' 42' ' ' LEU . 51.6 tp -126.21 110.14 13.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.554 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.8 mm? -97.16 131.96 43.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.287 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -66.28 -164.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -86.38 -22.87 26.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.54 28.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -114.49 122.28 46.09 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.249 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.548 ' N ' HD13 ' A' ' 46' ' ' LEU . 75.5 m -130.61 122.49 27.55 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.258 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' A' ' 65' ' ' LYS . 32.0 mm -86.65 133.08 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.788 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -135.46 125.38 25.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.313 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.0 -108.95 3.73 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.41 120.2 0.95 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -108.65 151.01 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 120.818 0.342 . . . . 0.0 110.296 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.8 143.6 50.32 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.584 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.43 -172.14 40.84 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -147.16 157.2 43.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 110.268 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.03 -165.65 15.29 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -96.03 121.67 38.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 110.734 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.479 ' C ' HD13 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -117.2 107.63 14.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.525 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.584 HE22 ' CA ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -92.46 101.93 14.38 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.4 tt -112.08 135.37 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.41 0.624 . . . . 0.0 112.12 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -123.13 55.74 1.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.094 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -144.84 -158.98 7.85 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.497 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 t -105.61 119.61 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.335 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.458 ' CG2' HD13 ' A' ' 60' ' ' ILE . 65.7 t -103.7 112.75 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 48' ' ' ILE . 49.4 mtpt -124.52 110.71 14.82 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.13 -157.8 22.63 Favored Glycine 0 N--CA 1.466 0.657 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 9.1 t0 -92.15 149.82 21.27 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.408 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 86.3 t -143.4 132.13 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.055 0.455 . . . . 0.0 111.074 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -128.46 110.95 12.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.008 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.668 HG12 ' N ' ' A' ' 71' ' ' GLY . 40.6 t -149.13 170.67 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.683 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.668 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -86.05 -45.14 5.75 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -133.19 122.86 24.61 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.0 tp -120.32 116.91 26.46 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.999 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.1 m -111.76 121.38 44.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.821 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.3 t -83.21 108.29 15.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.069 0.461 . . . . 0.0 110.852 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.584 ' CA ' HE22 ' A' ' 59' ' ' GLN . . . -51.11 -163.55 0.01 OUTLIER Glycine 0 CA--C 1.525 0.686 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.775 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -85.38 -18.15 34.58 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 77.2 m -66.93 -26.19 66.73 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 119.347 -0.941 . . . . 0.0 108.868 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.56 37.38 67.17 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 114.832 -1.076 . . . . 0.0 114.779 175.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -113.98 112.78 23.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.173 1.486 . . . . 0.0 110.102 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.7 t -148.87 112.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.67 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -134.82 107.89 7.64 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.15 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.27 -155.32 26.4 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 t -111.35 123.53 50.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.51 141.01 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.208 0.527 . . . . 0.0 111.066 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -128.26 117.62 21.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.529 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.98 176.82 12.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.99 0.424 . . . . 0.0 110.829 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -94.92 -53.29 3.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.81 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.03 135.46 47.6 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.27 143.58 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.786 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -120.74 112.67 19.14 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.217 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -86.66 135.52 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.126 0.489 . . . . 0.0 111.808 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -135.58 18.85 3.32 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.516 ' N ' ' OG ' ' A' ' 111' ' ' SER . . . -160.51 -152.45 6.57 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.58 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' GLY . 64.3 mtp180 -107.43 132.36 53.28 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.232 1.015 . . . . 0.0 113.114 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.45 123.34 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 114.091 -1.413 . . . . 0.0 109.374 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 97' ' ' VAL . 31.3 m -138.96 124.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.594 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.78 -91.52 0.12 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.46 124.2 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.392 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.9 tt -121.15 136.88 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.072 0.463 . . . . 0.0 110.832 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.8 m -133.61 110.52 9.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.192 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m -156.53 164.07 38.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.053 0.454 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -86.43 -29.07 23.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -138.82 130.68 27.83 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -148.25 141.63 18.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.164 0.507 . . . . 0.0 111.108 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -135.69 128.56 31.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.562 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 107' ' ' LEU . 6.9 mp -88.5 95.02 10.06 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.704 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.483 ' O ' ' O ' ' A' ' 92' ' ' VAL . 23.0 m-85 -93.7 162.04 14.1 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.853 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.612 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 62.97 176.57 3.3 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.605 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -70.81 28.02 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.612 ' H ' ' C ' ' A' ' 109' ' ' GLY . 53.2 m -57.33 169.93 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.629 -177.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 4.1 t80 -144.8 144.56 31.22 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.016 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.64 116.97 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.827 0.346 . . . . 0.0 110.354 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -133.72 114.82 13.86 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.73 -160.37 29.27 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -84.37 102.41 12.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.696 0.284 . . . . 0.0 110.248 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.422 HG21 ' CE1' ' A' ' 119' ' ' HIS . 80.5 mt -93.81 142.92 12.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.135 0.493 . . . . 0.0 110.973 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.1 m -140.86 106.05 5.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.464 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -155.31 145.55 21.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.395 0.617 . . . . 0.0 111.699 -179.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.42 -26.4 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.142 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -127.29 124.46 38.83 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.428 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.72 149.8 32.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.025 0.441 . . . . 0.0 111.545 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -144.16 138.01 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.648 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.54 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -104.76 127.34 52.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.964 0.411 . . . . 0.0 110.76 -179.252 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.62 149.85 33.97 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.783 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.8 m -40.49 116.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 116.11 4.77 18.14 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.64 28.25 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.747 0.308 . . . . 0.0 111.311 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.537 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 43.0 m-85 -130.17 102.81 6.39 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.532 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 8.8 p90 -132.81 130.01 39.28 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -128.36 100.44 5.81 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 175.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.81 177.2 33.04 Favored Glycine 0 C--N 1.32 -0.331 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -81.42 108.12 14.76 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.1 m -89.51 111.07 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.467 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 N--CA 1.464 0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.641 -179.796 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 120.674 0.273 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.509 ' C ' HD12 ' A' ' 42' ' ' LEU . 17.7 tp -142.51 108.77 5.26 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.278 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 42' ' ' LEU . 8.9 mp -102.51 134.78 45.28 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.402 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.3 m -73.97 -165.11 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.501 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -79.33 -41.95 26.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.982 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.509 ' C ' HD22 ' A' ' 46' ' ' LEU . 10.3 t70 -72.94 29.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.509 HD22 ' C ' ' A' ' 45' ' ' ASP . 3.9 mm? -111.5 127.85 55.83 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.064 0.459 . . . . 0.0 110.46 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.66 108.89 11.5 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.974 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.2 mm -101.45 146.94 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.81 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' GLY . 86.9 mt-10 -99.95 100.6 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.419 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -36.29 99.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 67' ' ' ASP . . . -178.87 18.71 0.03 OUTLIER Glycine 0 CA--C 1.518 0.25 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.66 148.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.506 -0.347 . . . . 0.0 110.784 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.5 p -139.68 113.56 8.73 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.36 -165.97 15.47 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -151.29 100.16 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.13 -164.09 36.52 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -88.26 114.87 25.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.772 0.32 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.09 107.66 15.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.747 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.578 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -105.96 102.09 11.54 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.193 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' GLY . 13.8 tt -109.6 135.52 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.215 0.531 . . . . 0.0 112.031 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.578 ' CG ' HE22 ' A' ' 59' ' ' GLN . 0.7 OUTLIER -126.76 56.59 1.48 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.266 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.17 -159.02 8.61 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.421 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 80' ' ' HIS . 43.8 t -106.47 113.22 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 115.09 -0.555 . . . . 0.0 109.931 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.94 119.59 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.942 0.401 . . . . 0.0 110.563 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' GLY . 5.6 mtmp? -125.71 135.12 51.74 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.347 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.61 -132.5 8.23 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.431 -0.667 . . . . 0.0 111.431 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 51' ' ' GLY . 9.1 t70 -111.45 125.03 53.45 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.095 0.474 . . . . 0.0 111.436 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.9 t -123.23 123.99 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.403 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -127.64 122.14 32.3 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.526 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.629 HG22 ' N ' ' A' ' 71' ' ' GLY . 14.6 p -162.96 168.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.483 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.629 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -67.23 -48.7 57.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.476 HH21 ' NH2' ' A' ' 106' ' ' ARG . 73.2 ttt180 -138.23 123.46 19.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.746 0.308 . . . . 0.0 110.337 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -111.81 109.93 20.01 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.681 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.6 m -102.78 123.58 46.71 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.864 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.03 104.45 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.06 0.457 . . . . 0.0 109.999 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -51.39 -158.29 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 CA-C-N 114.936 -1.029 . . . . 0.0 113.09 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -84.48 -22.62 30.2 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.471 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 99.2 m -66.96 -26.46 66.83 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.256 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.16 37.8 65.16 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-O 118.832 -0.982 . . . . 0.0 114.23 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.471 ' ND1' ' O ' ' A' ' 78' ' ' THR . 12.6 m80 -113.94 113.11 24.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.269 1.535 . . . . 0.0 110.544 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.83 111.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.15 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -138.66 106.84 5.75 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.941 0.4 . . . . 0.0 110.417 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.97 -155.05 26.09 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.5 p -93.56 129.3 39.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 t -123.68 137.81 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.112 0.482 . . . . 0.0 111.17 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -137.12 130.98 32.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.748 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -171.87 170.9 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.027 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.92 -43.51 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.75 136.69 49.94 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.347 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.17 120.98 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 111.68 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -111.23 107.47 16.79 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.474 ' O ' ' O ' ' A' ' 108' ' ' TYR . 16.9 t -92.22 133.93 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.233 0.54 . . . . 0.0 112.44 -178.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -137.21 19.6 2.97 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.709 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.51 -151.32 6.1 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.919 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 68.9 mtp180 -108.18 134.25 51.29 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 122.12 0.962 . . . . 0.0 113.08 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.42 126.23 28.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.556 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 97' ' ' VAL . 16.1 m -138.84 122.66 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.665 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.09 -98.05 0.17 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.0 137.91 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 100' ' ' ILE . 4.9 pt -141.72 144.95 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.975 0.417 . . . . 0.0 111.056 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.0 m -133.02 122.53 24.32 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.127 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 m -158.83 171.79 19.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.332 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.504 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 1.0 OUTLIER -83.09 -48.08 10.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.73 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -125.44 130.36 51.68 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.601 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.85 128.73 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.476 ' NH2' HH21 ' A' ' 72' ' ' ARG . 45.7 mtm-85 -127.05 117.2 21.98 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.828 ' N ' HD22 ' A' ' 107' ' ' LEU . 1.4 mm? -90.75 95.23 10.03 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.166 0.508 . . . . 0.0 111.222 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' A' ' 92' ' ' VAL . 37.5 m-85 -95.11 162.1 13.85 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.583 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.596 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 58.72 -164.12 9.3 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.308 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.1 p -67.1 32.42 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.141 -0.529 . . . . 0.0 110.184 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.596 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.3 p -44.78 142.65 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.3 0.571 . . . . 0.0 111.455 -177.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -143.97 119.88 10.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.496 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.34 120.8 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.926 0.394 . . . . 0.0 110.488 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -132.7 102.84 5.83 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.476 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.14 -159.87 28.58 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -85.44 115.36 23.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.696 0.284 . . . . 0.0 110.556 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 117' ' ' ILE . 14.3 tt -116.55 127.73 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.5 m -119.63 132.43 55.7 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.222 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.54 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -174.04 154.51 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.475 ' OE2' ' N ' ' A' ' 120' ' ' GLU . 1.8 mp0 -88.09 -51.23 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.259 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -117.18 133.3 56.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.003 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.09 148.68 32.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.461 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -136.95 132.75 34.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.695 ' SD ' HD23 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -105.44 131.76 52.45 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.985 0.421 . . . . 0.0 111.092 -179.361 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -117.35 162.88 17.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.138 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.5 t -45.91 140.42 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.97 7.26 68.45 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.85 116.22 28.72 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.603 0.239 . . . . 0.0 111.53 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -129.87 102.5 6.33 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 9.2 p90 -132.81 115.51 15.38 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -114.39 100.1 8.07 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 175.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.89 177.03 34.0 Favored Glycine 0 C--N 1.322 -0.22 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -82.11 109.41 16.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.522 ' C ' HD22 ' A' ' 135' ' ' LEU . 87.7 p -94.05 109.58 21.33 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.392 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.575 ' N ' HD22 ' A' ' 135' ' ' LEU . 3.7 mm? . . . . . 0 N--CA 1.464 0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.166 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.467 0.397 0 CA-C-O 120.819 0.342 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -120.39 109.01 14.82 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.287 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.488 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.7 mm? -100.36 107.07 18.75 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.955 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' LEU . 21.7 m -49.5 -178.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.59 -27.82 19.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.041 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.457 ' C ' HD22 ' A' ' 46' ' ' LEU . 4.2 m-20 -69.44 12.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.368 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -102.32 137.51 40.47 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.234 0.54 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 p -130.26 120.29 24.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.816 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.4 135.16 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 110.398 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -134.26 139.56 45.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.588 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.85 -74.01 2.54 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.0 133.19 1.85 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.7 m -126.84 145.51 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 120.803 0.335 . . . . 0.0 110.403 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.1 p -102.38 167.12 10.17 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.49 -160.91 29.66 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -168.59 151.07 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.498 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.6 -163.1 18.66 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -85.72 121.74 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 tp -114.29 107.39 15.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.516 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.75 111.66 23.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' GLY . 13.8 tt -130.44 139.32 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.112 0.482 . . . . 0.0 111.713 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' OG1' ' A' ' 78' ' ' THR . 28.7 p-10 -128.3 53.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.49 -157.93 7.57 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.506 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t -105.51 115.58 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.208 -0.496 . . . . 0.0 109.849 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 60' ' ' ILE . 57.7 t -104.98 111.46 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.218 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -124.99 110.53 14.32 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.834 0.349 . . . . 0.0 110.693 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.26 -170.81 23.69 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -89.7 111.81 22.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.815 0.34 . . . . 0.0 110.229 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.5 t -109.76 136.13 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 120.96 0.41 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -128.31 127.67 43.16 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.284 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.1 p -167.27 166.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.408 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.462 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -62.12 -69.81 1.2 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -121.81 119.51 31.89 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.241 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 74' ' ' THR . 2.1 tt -101.26 117.71 35.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.504 ' N ' HD23 ' A' ' 73' ' ' LEU . 2.5 p -110.89 117.09 32.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.218 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.76 111.92 20.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -52.31 -161.54 0.01 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.182 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 5.5 mp0 -85.24 -24.34 27.84 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 21.2 p -66.32 -25.07 66.66 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.703 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 57.01 38.79 87.61 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-O 118.595 -1.114 . . . . 0.0 115.03 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -109.44 112.0 23.86 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.565 1.683 . . . . 0.0 110.075 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.5 t -149.36 111.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.205 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.07 107.29 5.76 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.697 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.94 -155.2 26.27 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -92.13 133.45 35.76 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -129.72 134.62 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 121.133 0.492 . . . . 0.0 111.363 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -137.23 129.94 30.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.5 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -170.46 172.25 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.384 -0.527 . . . . 0.0 111.144 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -89.19 -39.61 13.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.117 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.36 143.72 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.449 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 t -144.62 116.67 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.091 0.472 . . . . 0.0 111.376 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -116.99 107.1 14.14 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.391 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.514 HG12 ' H ' ' A' ' 94' ' ' GLY . 52.6 t -89.4 139.49 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.258 0.552 . . . . 0.0 112.022 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -135.93 19.94 3.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.514 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.77 -151.83 6.29 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.551 -177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 74.9 mtt180 -107.74 135.36 49.29 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 122.089 0.947 . . . . 0.0 112.817 -177.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.63 132.55 41.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.71 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 97' ' ' VAL . 26.9 m -139.58 116.09 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 110.776 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.84 -101.52 0.19 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -154.79 148.89 25.87 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.1 tt -147.29 134.03 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.169 0.509 . . . . 0.0 111.291 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.5 m -133.93 120.55 20.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.597 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 72.7 m -161.32 173.94 14.26 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.033 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.51 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 1.1 mptp? -84.79 -38.52 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.203 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -126.84 135.45 51.01 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.4 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.2 t -141.98 128.73 19.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.733 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.458 ' NH2' ' OH ' ' A' ' 108' ' ' TYR . 37.1 mtp180 -134.44 125.68 27.96 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.861 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.621 ' N ' HD12 ' A' ' 107' ' ' LEU . 8.6 mp -94.81 95.68 8.85 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.068 0.461 . . . . 0.0 111.26 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 92' ' ' VAL . 31.7 m-85 -94.22 161.78 14.12 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.1 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.606 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 59.44 -162.6 13.91 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.259 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 t -67.94 32.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.099 -0.551 . . . . 0.0 109.821 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.606 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.5 t -44.94 133.02 6.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.478 0.656 . . . . 0.0 112.003 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -133.66 126.92 31.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.836 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.0 t -133.81 122.87 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.994 0.426 . . . . 0.0 110.908 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -133.56 102.78 5.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.456 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.21 -150.01 20.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -86.01 122.61 30.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.445 ' CG2' ' NE2' ' A' ' 119' ' ' HIS . 0.6 OUTLIER -108.19 136.66 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.646 179.672 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 m -148.58 112.35 5.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.559 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -160.74 154.3 22.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 20.7 mp0 -91.6 -27.87 17.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.951 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -133.01 124.84 28.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.626 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.72 149.55 50.64 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.055 0.455 . . . . 0.0 111.132 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -141.9 124.02 15.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.7 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.612 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.7 mmt -105.36 118.81 37.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 111.023 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -109.41 153.11 24.45 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.903 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.11 128.92 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.728 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 104.03 -0.02 44.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.18 116.02 28.48 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 111.253 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -129.68 104.22 7.3 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.612 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 5.2 p90 -130.7 112.42 13.09 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -112.02 101.14 9.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.46 176.95 32.88 Favored Glycine 0 C--N 1.319 -0.391 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.433 ' HE ' HD21 ' A' ' 135' ' ' LEU . 58.1 ttp180 -81.39 108.3 14.88 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 m -88.85 115.76 26.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.878 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.433 HD21 ' HE ' ' A' ' 133' ' ' ARG . 23.1 mt . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.21 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.466 0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.3 109.15 20.95 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 33.0 mt -107.14 117.55 34.36 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.496 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.3 p -49.09 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.766 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.39 -25.98 21.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.699 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -73.06 29.67 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.376 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 44' ' ' ALA . 39.7 tp -121.78 138.92 54.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.209 0.528 . . . . 0.0 110.755 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.8 m -130.97 121.97 26.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.263 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mm -87.26 136.81 22.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.799 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -135.29 139.97 44.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.31 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.79 -100.3 2.65 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.45 116.6 0.71 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.6 p -109.6 148.01 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.778 0.323 . . . . 0.0 110.386 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.24 111.73 15.57 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.37 -157.71 33.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' N ' HG23 ' A' ' 70' ' ' VAL . 61.9 tt0 -169.14 112.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.45 -140.62 15.15 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -81.78 114.78 20.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.842 0.353 . . . . 0.0 110.951 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 tp -105.19 107.24 18.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.027 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -99.05 106.43 18.66 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.499 HD13 ' CG2' ' A' ' 64' ' ' VAL . 9.4 tt -131.96 139.3 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.176 0.512 . . . . 0.0 111.49 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' OG1' ' A' ' 78' ' ' THR . 16.7 p-10 -126.73 50.37 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.17 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.407 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -138.17 -160.12 8.36 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 63' ' ' VAL . 9.2 p -106.39 116.36 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.202 0.525 . . . . 0.0 110.209 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.499 ' CG2' HD13 ' A' ' 60' ' ' ILE . 47.6 t -105.19 119.8 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.208 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -124.08 138.22 54.47 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.449 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.96 -154.73 16.43 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -90.3 128.12 36.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.781 0.324 . . . . 0.0 110.331 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -116.9 123.92 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.296 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -128.33 122.95 32.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.611 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.549 HG22 ' N ' ' A' ' 71' ' ' GLY . 8.4 p -167.7 167.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.455 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.549 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -71.83 -69.64 1.36 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -112.89 119.22 37.23 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 tp -100.86 129.57 46.75 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.599 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.9 m -126.38 108.42 11.21 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.99 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.2 112.68 21.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.347 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -50.6 -161.52 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 CA-C-N 114.912 -1.04 . . . . 0.0 112.935 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -84.78 -23.8 29.03 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.435 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 31.8 p -67.04 -25.82 66.45 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.832 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.463 ' HA3' ' H ' ' A' ' 95' ' ' ARG . . . 56.62 39.49 85.77 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-O 118.586 -1.119 . . . . 0.0 114.957 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 78' ' ' THR . 52.3 m80 -106.29 113.96 27.8 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.559 1.679 . . . . 0.0 110.473 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.2 t -148.43 110.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.051 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.06 107.0 7.96 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.46 -155.33 26.36 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -112.45 137.71 50.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.64 146.16 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.178 0.513 . . . . 0.0 111.185 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 26.7 m-85 -135.29 117.8 15.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.453 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -153.03 176.63 11.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.006 0.432 . . . . 0.0 111.123 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 3.1 mm-40 -93.2 -41.93 9.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.204 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.69 137.31 50.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.547 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.67 132.66 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.14 0.495 . . . . 0.0 111.673 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -131.77 112.34 12.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.119 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.579 HG12 ' H ' ' A' ' 94' ' ' GLY . 61.8 t -101.18 141.87 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.327 0.584 . . . . 0.0 112.55 -178.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -135.48 20.35 3.36 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.579 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.29 -151.45 6.13 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.745 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.463 ' H ' ' HA3' ' A' ' 79' ' ' GLY . 19.2 mtt-85 -107.86 136.64 47.23 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 122.272 1.034 . . . . 0.0 113.324 -177.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.02 129.29 32.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.146 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 97' ' ' VAL . 6.6 p -138.11 108.35 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.46 -102.81 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.3 145.18 21.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.723 0.297 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 tt -140.6 140.25 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.074 0.464 . . . . 0.0 111.236 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.1 m -133.82 108.84 8.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.956 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.7 m -153.89 165.59 35.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.026 0.441 . . . . 0.0 111.21 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.488 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.0 mptt -72.46 -57.37 4.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.294 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -125.77 134.56 51.69 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.081 0.467 . . . . 0.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.0 m -131.5 148.14 32.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.263 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 mtp85 -137.41 115.3 11.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.922 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 107' ' ' LEU . 8.5 mp -83.41 94.57 8.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.048 0.452 . . . . 0.0 110.333 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 92' ' ' VAL . 2.8 m-85 -94.43 161.51 14.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.224 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.584 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.77 -158.93 5.95 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.177 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -66.97 32.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.127 -0.537 . . . . 0.0 110.308 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.584 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.8 t -45.21 129.67 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.267 0.556 . . . . 0.0 111.698 -177.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -133.33 110.73 10.26 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.311 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.42 120.78 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -133.19 107.12 7.98 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.372 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.57 -155.38 26.1 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -86.47 121.39 28.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.678 0.275 . . . . 0.0 110.581 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 87.2 mt -114.61 141.98 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 110.626 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.1 m -135.84 109.42 7.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.346 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.477 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -156.8 154.75 30.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.145 0.498 . . . . 0.0 111.613 -179.154 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 9.7 mp0 -97.02 -37.77 10.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.63 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -122.21 130.55 53.3 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.644 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.31 131.18 27.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.005 0.431 . . . . 0.0 111.115 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -119.88 126.14 50.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.472 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.609 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.9 mmt -104.58 113.61 27.3 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.941 0.401 . . . . 0.0 110.875 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -102.28 153.44 19.98 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.054 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 71.6 m -42.63 123.78 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 106.95 7.41 33.36 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.83 115.53 28.14 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.696 0.284 . . . . 0.0 111.491 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -130.68 103.57 6.68 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.609 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 3.9 p90 -132.45 114.95 14.93 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -115.26 100.47 8.16 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.26 175.65 33.89 Favored Glycine 0 C--N 1.321 -0.295 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.402 ' CZ ' HD21 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -82.73 108.72 16.3 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.078 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.8 t -92.81 130.49 38.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.064 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 133' ' ' ARG . 34.3 mt . . . . . 0 N--CA 1.464 0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.412 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 41' ' ' LEU . 23.4 p . . . . . 0 N--CA 1.467 0.385 0 CA-C-O 120.766 0.317 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.558 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.1 mp -99.26 124.24 44.18 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.452 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.63 119.73 35.88 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.927 0.394 . . . . 0.0 110.361 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 m -53.68 -172.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.616 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.24 -29.89 18.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -68.52 10.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.6 mm? -95.14 131.42 41.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.095 0.474 . . . . 0.0 110.577 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 121.59 22.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.022 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.5 mp -86.56 133.03 30.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.986 0.422 . . . . 0.0 110.451 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -127.96 125.94 40.48 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.12 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.98 -86.1 1.08 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.05 120.33 0.88 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.28 132.83 39.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.909 0.385 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.8 p -103.28 144.02 31.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.74 -177.89 36.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -170.62 72.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 110.509 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.62 -163.63 36.36 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -73.88 113.55 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.216 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.9 tp -108.75 107.67 18.2 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.47 103.39 13.76 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.0 tt -123.55 131.16 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.182 0.515 . . . . 0.0 111.768 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -116.42 48.46 1.27 Allowed 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.434 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -137.99 -159.87 8.3 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.08 -178.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 63' ' ' VAL . 1.9 m -105.68 124.84 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.202 0.525 . . . . 0.0 110.818 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.7 t -105.95 115.7 48.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 48' ' ' ILE . 17.5 mtpp -123.86 123.35 40.26 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.41 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.17 -149.44 18.69 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -90.27 159.11 16.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.781 0.324 . . . . 0.0 110.371 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.16 124.05 10.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -128.23 118.42 23.27 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.529 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.567 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.7 p -167.39 167.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.6 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.567 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -76.14 -66.04 1.92 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -116.09 119.97 37.55 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 74' ' ' THR . 3.1 tt -105.84 117.73 34.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.014 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.577 ' N ' HD23 ' A' ' 73' ' ' LEU . 41.4 m -112.61 116.65 30.52 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.3 t -83.04 111.74 19.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.721 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -49.54 -162.07 0.01 OUTLIER Glycine 0 CA--C 1.526 0.77 0 CA-C-N 114.783 -1.099 . . . . 0.0 113.431 -178.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -84.6 -26.16 28.11 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.1 m -67.0 -25.59 66.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.916 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.5 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.53 38.6 81.58 Favored Glycine 0 C--O 1.223 -0.58 0 CA-C-O 118.667 -1.074 . . . . 0.0 114.185 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -108.64 113.65 26.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.651 1.725 . . . . 0.0 110.073 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.7 t -146.95 113.54 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.477 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -138.27 108.79 6.55 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.566 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.74 -157.36 28.58 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -102.41 115.96 31.64 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 t -100.64 138.56 24.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.998 0.428 . . . . 0.0 111.279 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -136.57 117.91 14.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.614 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.63 178.32 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.3 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -85.71 -56.01 3.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.681 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.86 148.77 51.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.916 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.9 123.7 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.245 0.545 . . . . 0.0 111.399 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.42 107.34 17.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.297 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 94' ' ' GLY . 40.8 t -86.07 139.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.327 0.584 . . . . 0.0 112.282 -178.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -134.48 19.93 3.63 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.567 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.48 -154.91 7.46 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.671 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' A' ' 79' ' ' GLY . 11.2 ptm180 -110.71 134.15 52.72 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.421 1.105 . . . . 0.0 113.546 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -126.34 127.89 70.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.246 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.5 t -133.34 114.32 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.805 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.76 -95.61 0.14 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.72 147.2 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.709 0.29 . . . . 0.0 110.25 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.4 pt -144.56 143.11 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.979 0.419 . . . . 0.0 111.283 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 m -133.28 117.58 17.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.874 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.0 m -157.48 177.26 11.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.238 0.542 . . . . 0.0 111.599 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.529 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 3.0 mptp? -86.61 -27.94 23.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.522 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -154.17 136.32 14.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.974 0.416 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 105' ' ' VAL . 3.3 m -133.05 120.03 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.097 0.475 . . . . 0.0 110.877 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -108.41 111.06 22.76 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.708 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.6 mt -81.72 93.93 6.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.25 0.547 . . . . 0.0 111.134 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 20.0 m-85 -95.64 161.51 14.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.173 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.51 -159.72 5.26 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.52 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 t -65.7 32.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.816 -0.692 . . . . 0.0 110.96 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.546 ' H ' ' C ' ' A' ' 109' ' ' GLY . 12.9 t -44.9 128.24 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.324 0.583 . . . . 0.0 111.397 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -131.9 110.01 10.49 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.521 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.486 HG11 HD11 ' A' ' 117' ' ' ILE . 3.1 t -114.88 119.25 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -133.49 102.84 5.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.217 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.38 -154.96 25.95 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -90.72 129.59 36.8 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.852 0.358 . . . . 0.0 110.967 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.591 HD12 ' CZ ' ' A' ' 130' ' ' PHE . 8.6 mt -119.31 143.26 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 54.5 m -145.23 102.93 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.1 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.461 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -149.97 168.43 23.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.662 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -102.72 -28.07 12.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.385 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -131.65 142.85 49.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.102 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.65 148.94 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.176 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.28 133.84 22.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.696 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.1 mtp -115.39 136.91 52.61 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 111.135 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 6.0 mm-40 -125.11 171.02 10.63 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.034 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.5 t -44.11 138.8 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.401 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.8 9.63 84.25 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 125' ' ' GLU . . . -89.27 116.63 27.64 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.966 0.413 . . . . 0.0 110.889 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -128.74 110.86 12.55 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.591 ' CZ ' HD12 ' A' ' 117' ' ' ILE . 0.8 OUTLIER -130.37 109.0 10.41 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.739 -178.796 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -131.47 99.21 4.75 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.07 178.03 34.53 Favored Glycine 0 C--N 1.319 -0.412 0 N-CA-C 108.464 -1.855 . . . . 0.0 108.464 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -81.05 108.49 14.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 p -86.43 149.95 24.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.399 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.847 179.789 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.467 0.382 0 CA-C-O 120.777 0.323 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 mt -139.63 108.72 6.05 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 42' ' ' LEU . 8.6 mp -97.12 130.97 44.32 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.262 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -72.29 -164.54 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -80.08 -34.58 37.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.503 ' C ' HD22 ' A' ' 46' ' ' LEU . 18.1 m-20 -77.54 28.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.78 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 45' ' ' ASP . 3.9 mm? -109.77 118.08 35.57 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.069 0.462 . . . . 0.0 110.091 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.62 121.61 35.2 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.115 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -86.39 144.74 8.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -136.26 140.2 43.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.54 -98.44 1.4 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.41 131.78 2.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.7 m -125.0 133.31 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.766 0.317 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -104.84 169.87 8.2 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.65 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.2 -163.58 20.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -170.76 71.46 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.61 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.8 -146.38 10.54 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -92.68 120.42 33.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.893 0.378 . . . . 0.0 110.539 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.4 tp -119.77 107.21 12.92 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.514 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -104.74 102.14 11.73 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.242 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.5 tt -111.27 137.21 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.254 0.549 . . . . 0.0 111.865 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -127.65 64.26 1.36 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.613 178.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.06 -158.87 9.05 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.426 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.56 120.14 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 121.174 0.511 . . . . 0.0 110.448 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.3 t -99.6 124.91 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.975 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -124.62 91.05 3.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.091 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.99 -148.32 20.01 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -107.7 155.63 19.97 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.893 0.377 . . . . 0.0 110.679 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.3 t -140.87 134.69 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.671 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -128.84 118.56 22.94 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.572 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.6 p -167.43 171.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.572 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -73.42 -64.32 2.53 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -113.95 135.81 53.59 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.773 0.32 . . . . 0.0 110.383 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.8 tp -136.4 121.9 19.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.328 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 51.7 m -126.98 123.33 36.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 75' ' ' VAL . 1.1 m -85.93 116.21 28.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.322 0.582 . . . . 0.0 110.56 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.46 -157.88 0.01 OUTLIER Glycine 0 CA--C 1.522 0.513 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.557 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -80.87 -14.84 57.65 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 14.4 p -67.5 -27.22 66.82 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.893 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.72 38.26 63.65 Favored Glycine 0 CA--C 1.521 0.437 0 CA-C-N 115.004 -0.998 . . . . 0.0 114.435 176.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -115.32 114.21 24.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.133 1.466 . . . . 0.0 110.363 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -147.25 114.86 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.457 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.66 107.66 7.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.483 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.77 -155.99 27.03 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.7 p -103.97 115.89 31.27 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 t -98.09 120.61 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.09 0.471 . . . . 0.0 111.354 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -120.39 117.13 26.92 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.624 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.32 178.47 8.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.465 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -94.3 -40.22 10.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.01 138.34 24.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.933 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.01 143.95 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.176 0.512 . . . . 0.0 112.002 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -117.21 118.17 31.57 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.189 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.9 t -96.88 130.56 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.4 ' H ' HG22 ' A' ' 75' ' ' VAL . 94.8 mtt180 -131.19 20.23 4.87 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.79 -150.52 5.87 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.972 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 79' ' ' GLY . 56.4 ttp85 -106.95 129.26 54.79 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 122.027 0.918 . . . . 0.0 112.754 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.7 p -135.85 130.73 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.241 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 97' ' ' VAL . 27.9 m -139.38 130.75 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.409 179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.19 -94.92 0.16 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.32 150.77 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 tt -147.38 132.25 10.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.96 0.41 . . . . 0.0 110.564 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.6 m -133.25 112.31 11.57 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.093 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.6 p -158.72 -179.42 8.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 111.253 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -81.91 -55.53 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.61 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -130.18 143.52 50.83 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.958 0.409 . . . . 0.0 110.736 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -148.8 124.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.995 0.426 . . . . 0.0 110.667 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -109.47 134.84 51.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.832 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 107' ' ' LEU . 10.8 mp -96.38 94.0 7.17 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.823 0.344 . . . . 0.0 111.397 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 27.2 m-85 -96.04 161.14 14.11 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.674 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.568 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 53.63 -153.89 7.92 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.537 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' THR . 18.7 m -65.09 31.88 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 114.882 -0.659 . . . . 0.0 110.85 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.568 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.5 m -45.33 132.34 7.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.997 0.427 . . . . 0.0 110.552 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -146.95 112.1 5.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.312 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.448 ' CG1' HD11 ' A' ' 117' ' ' ILE . 1.9 t -115.71 122.77 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.979 0.419 . . . . 0.0 110.761 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -133.65 111.11 10.35 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.586 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.08 -152.83 24.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -85.8 121.64 28.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.448 HD11 ' CG1' ' A' ' 113' ' ' VAL . 91.6 mt -115.44 142.44 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.137 0.494 . . . . 0.0 110.978 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.0 m -142.42 95.2 2.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.779 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.528 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -136.57 142.72 43.39 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.687 -179.268 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -78.0 -51.52 10.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.771 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -122.03 129.08 52.13 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.492 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -125.1 148.64 48.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.117 0.484 . . . . 0.0 110.973 -178.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.41 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -134.81 121.93 21.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.501 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.607 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -104.98 128.9 53.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.979 0.418 . . . . 0.0 110.997 -179.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -121.99 156.47 33.38 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.773 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 121.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.797 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 109.12 4.88 30.94 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.79 115.45 28.07 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.688 0.28 . . . . 0.0 111.278 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -130.95 103.27 6.45 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 6.0 p90 -131.1 116.45 17.76 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -122.8 100.0 6.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.4 176.24 33.83 Favored Glycine 0 C--N 1.321 -0.294 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 108.29 15.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.2 m -93.52 129.98 39.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.569 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.404 ' C ' HD12 ' A' ' 41' ' ' LEU . 29.9 m . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.967 0.413 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.1 mp -103.28 120.51 40.9 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.34 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.6 mp -98.17 110.71 23.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' LEU . 9.8 m -48.75 179.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.965 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.09 -31.17 18.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.796 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.28 29.72 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 44' ' ' ALA . 50.6 mt -120.83 139.01 53.75 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.387 0.613 . . . . 0.0 111.262 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.439 ' OG1' ' OE2' ' A' ' 49' ' ' GLU . 4.5 p -132.09 122.99 26.28 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.721 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.7 mm -86.69 137.71 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.852 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 26.8 mp0 -135.41 140.46 44.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.26 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.442 ' O ' ' OD1' ' A' ' 67' ' ' ASP . . . 78.62 -82.18 1.32 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.92 138.6 2.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -144.63 148.86 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 110.653 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -109.73 170.97 7.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.122 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.64 -46.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 60.27 87.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.512 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.63 -178.99 32.8 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -93.78 114.65 26.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.755 0.312 . . . . 0.0 110.326 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -135.92 148.5 48.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.455 0.645 . . . . 0.0 111.206 -179.781 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 60' ' ' ILE . 4.3 tp-100 -113.03 115.89 29.06 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.74 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.545 HD13 ' CG2' ' A' ' 64' ' ' VAL . 13.2 tt -115.0 128.85 72.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.414 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' C ' ' OG1' ' A' ' 78' ' ' THR . 35.5 p-10 -117.0 49.63 1.16 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.08 -159.23 8.06 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.8 p -106.52 116.58 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.034 0.445 . . . . 0.0 110.323 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.545 ' CG2' HD13 ' A' ' 60' ' ' ILE . 80.6 t -103.76 115.33 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -124.85 130.85 53.2 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.421 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.57 -169.41 12.91 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.391 -0.683 . . . . 0.0 111.391 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 1.7 p-10 -91.64 108.75 20.12 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.839 0.352 . . . . 0.0 110.51 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.1 p -112.6 142.97 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.515 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -127.7 134.15 49.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.358 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.564 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.3 p -167.28 168.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.816 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.564 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -80.36 -68.41 1.48 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -112.86 119.09 36.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.978 0.418 . . . . 0.0 109.932 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 tp -113.18 126.24 55.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.766 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.5 HG22 HE22 ' A' ' 59' ' ' GLN . 4.0 m -122.89 117.0 24.57 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.4 t -83.47 111.04 19.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.602 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.34 -160.08 0.01 OUTLIER Glycine 0 CA--C 1.527 0.826 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.346 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -84.73 -23.24 29.38 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 34.9 p -66.7 -25.4 66.52 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.657 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.1 39.17 79.54 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 118.715 -1.047 . . . . 0.0 114.417 176.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.68 113.28 26.45 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.4 1.6 . . . . 0.0 110.535 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -148.96 110.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.94 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.27 107.43 5.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.023 0.439 . . . . 0.0 110.378 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.96 -155.59 26.58 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.3 m -100.66 123.63 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.47 121.49 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.15 0.5 . . . . 0.0 110.963 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 10.2 m-85 -113.98 123.63 50.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.728 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.56 160.74 38.47 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.366 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -83.2 -44.38 15.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.117 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.93 138.08 43.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.685 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.4 p -145.55 145.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.177 0.513 . . . . 0.0 111.403 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -133.94 109.8 9.27 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.549 HG12 ' H ' ' A' ' 94' ' ' GLY . 67.0 t -88.92 142.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.288 0.566 . . . . 0.0 112.314 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -137.1 20.23 2.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.549 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.32 -151.18 6.05 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.424 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -107.63 136.68 46.98 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 122.122 0.963 . . . . 0.0 113.055 -177.588 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 96' ' ' VAL . 6.0 p -141.33 125.36 16.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.954 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 97' ' ' VAL . 18.0 m -138.9 130.18 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.44 -95.99 0.16 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.27 138.76 11.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 110.486 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 tt -141.41 138.81 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.016 0.436 . . . . 0.0 110.853 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.8 m -133.32 109.46 9.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.792 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.1 t -146.62 164.37 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.15 0.5 . . . . 0.0 111.268 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -86.89 -35.01 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.502 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -132.96 121.82 23.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.267 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.0 t -126.29 144.15 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -141.49 107.77 5.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.799 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.6 mt -81.19 95.16 6.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.988 0.423 . . . . 0.0 111.139 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 92' ' ' VAL . 3.7 m-85 -94.32 163.01 13.61 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.681 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.554 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 52.6 -160.87 2.68 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.081 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 110' ' ' THR . 2.3 t -65.2 32.23 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.088 0.555 . . . . 0.0 111.134 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.554 ' H ' ' C ' ' A' ' 109' ' ' GLY . 10.7 t -45.12 130.79 7.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.272 0.558 . . . . 0.0 111.735 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -131.48 109.83 10.57 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.658 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -109.86 116.74 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.629 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -133.68 102.65 5.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.1 -148.67 18.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -90.67 115.14 27.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.81 0.338 . . . . 0.0 110.545 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.427 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 0.5 OUTLIER -98.43 142.56 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.029 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.7 m -149.69 119.19 6.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.107 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -177.84 157.8 1.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.954 0.406 . . . . 0.0 110.946 -179.777 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.57 -34.33 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.169 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -121.45 126.08 48.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.118 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -134.24 143.33 47.74 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.436 -179.707 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -135.96 132.21 36.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.175 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.6 mtp -112.47 117.24 31.84 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.142 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -105.31 161.1 14.59 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.983 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.7 t -40.56 135.56 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.7 0.286 . . . . 0.0 110.62 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 86.6 9.34 75.41 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.56 118.39 27.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 111.333 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -127.01 112.79 15.65 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 130' ' ' PHE . 1.6 t80 -132.13 109.2 9.8 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.848 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.89 98.96 4.94 Favored 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.43 177.22 35.18 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -81.9 108.86 15.75 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.2 p -88.8 127.5 35.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.875 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.523 HD12 ' N ' ' A' ' 135' ' ' LEU . 10.5 mp . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.178 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.697 0.285 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 42' ' ' LEU . 2.6 tt -126.94 108.76 11.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.228 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.8 mp -103.77 124.34 48.72 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.9 p -60.44 -178.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.336 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.92 -20.74 24.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.655 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -75.2 29.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.106 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 44' ' ' ALA . 26.3 mt -125.78 142.87 51.3 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.435 0.636 . . . . 0.0 111.391 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.14 124.31 27.28 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.802 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.07 143.94 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.034 0.445 . . . . 0.0 111.02 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -134.51 140.32 46.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.499 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.99 -68.72 2.25 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.78 142.11 3.45 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -133.25 150.73 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.854 0.359 . . . . 0.0 110.507 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.45 150.67 34.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.406 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' HG13 ' A' ' 70' ' ' VAL . . . -168.66 80.16 0.1 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.07 110.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.678 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 144.39 -161.83 27.94 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -88.06 118.84 27.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.815 0.34 . . . . 0.0 110.214 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -115.24 107.46 15.31 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.359 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.401 HE21 ' HG ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -102.91 115.4 30.52 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.7 tt -134.99 144.24 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.931 0.396 . . . . 0.0 111.397 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -125.03 54.18 1.45 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.297 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.21 -160.42 8.3 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.7 p -109.19 112.14 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.508 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.466 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.3 m -106.7 122.3 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -124.63 118.7 27.1 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.348 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.88 -147.79 19.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -105.34 119.82 40.02 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.804 0.335 . . . . 0.0 110.32 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 t -110.1 129.8 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.439 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 70' ' ' VAL . 40.1 ttp85 -127.55 110.97 13.25 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.365 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.578 HG12 ' N ' ' A' ' 71' ' ' GLY . 69.3 t -157.49 163.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.373 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.578 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -70.89 -62.8 3.41 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.28 124.91 48.98 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.758 0.313 . . . . 0.0 110.217 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.557 HD13 ' N ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -111.36 116.18 30.53 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.68 -179.524 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.557 ' N ' HD13 ' A' ' 73' ' ' LEU . 95.2 m -112.01 109.1 18.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.967 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 t -83.56 123.92 39.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.244 0.545 . . . . 0.0 110.788 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.59 -157.95 0.18 Allowed Glycine 0 CA--C 1.525 0.661 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.339 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -83.66 -20.49 33.5 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.0 m -66.95 -26.87 67.04 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 119.138 -1.025 . . . . 0.0 108.685 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.13 38.61 67.33 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 118.773 -1.015 . . . . 0.0 114.584 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.09 113.58 26.21 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.316 1.558 . . . . 0.0 110.736 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -148.64 111.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.284 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -137.59 108.61 6.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.043 0.449 . . . . 0.0 110.553 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.37 -155.72 26.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.2 m -101.26 115.92 31.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.15 117.47 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 111.351 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -113.42 124.73 53.12 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.635 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.28 176.62 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.223 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.85 -45.87 10.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.104 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.13 147.46 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.719 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 90' ' ' VAL . 31.7 m -145.58 120.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.461 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -106.63 106.24 16.67 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.1 m -93.86 146.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.491 0.662 . . . . 0.0 111.966 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -131.82 22.21 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.095 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.35 -151.27 5.96 Favored Glycine 0 CA--C 1.533 1.174 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.555 -177.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLY . 89.2 mtt180 -106.0 133.04 51.36 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.313 1.054 . . . . 0.0 113.709 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.3 t -123.53 108.48 21.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 113.858 -1.519 . . . . 0.0 109.176 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.41 107.63 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.871 0.367 . . . . 0.0 110.341 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.16 -106.13 0.28 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.6 145.56 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.552 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.3 pt -142.99 143.92 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.9 m -133.36 114.47 13.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.979 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -155.84 169.14 25.08 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.294 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -78.97 -35.08 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.14 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -131.64 143.74 50.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.124 0.488 . . . . 0.0 110.945 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 20.9 t -144.85 127.68 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -132.8 122.33 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.684 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 107' ' ' LEU . 11.0 mp -93.08 96.11 9.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.358 0.599 . . . . 0.0 111.602 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -93.82 161.52 14.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.718 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.61 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.83 178.18 6.28 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.805 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.0 p -71.87 27.73 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.61 ' H ' ' C ' ' A' ' 109' ' ' GLY . 6.2 p -54.78 168.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.294 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 2.4 t80 -150.47 140.18 21.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.5 t -134.69 121.8 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 120.922 0.391 . . . . 0.0 110.468 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -133.42 104.21 6.31 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 164.2 -158.65 31.33 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -91.13 120.48 32.12 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.764 0.316 . . . . 0.0 110.623 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.2 mt -116.11 142.37 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 37.8 m -137.56 103.32 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.705 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.481 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -146.31 165.46 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.237 0.542 . . . . 0.0 111.167 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 4.4 mp0 -100.28 -42.04 6.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.393 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -117.88 137.83 52.53 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.455 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.71 149.36 37.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.987 0.423 . . . . 0.0 111.067 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -140.37 147.61 40.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.876 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.508 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 17.3 mmt -129.22 118.8 22.95 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.779 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -108.99 157.61 18.5 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.167 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 126' ' ' THR . 0.0 OUTLIER -43.66 116.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.479 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 115.81 2.1 20.83 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.39 114.65 27.24 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.633 -0.334 . . . . 0.0 111.15 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 65.2 m-85 -130.67 101.76 5.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.508 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 14.5 p90 -132.56 121.82 23.85 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -119.02 100.03 7.1 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.32 176.25 33.77 Favored Glycine 0 C--N 1.319 -0.415 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -82.49 108.16 15.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.6 t -96.29 119.12 34.2 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.547 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.723 -179.826 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.069 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 42' ' ' LEU . 16.1 tp -133.21 109.32 9.35 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.374 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 42' ' ' LEU . 8.5 mp -98.58 118.13 34.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.306 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.4 p -54.72 179.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.799 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -84.34 -31.8 24.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.376 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.85 29.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.364 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.9 tp -131.18 142.3 50.18 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.555 0.693 . . . . 0.0 111.433 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 47' ' ' THR . 13.6 t -138.89 125.06 20.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.583 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -86.6 147.29 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.961 0.41 . . . . 0.0 110.708 -179.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 48' ' ' ILE . 85.2 mt-10 -133.8 140.31 46.84 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.534 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 67' ' ' ASP . . . 90.71 -106.13 3.33 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.45 113.32 0.56 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.6 p -93.72 136.72 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.755 0.312 . . . . 0.0 110.658 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 t -103.15 165.34 11.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.56 -175.25 41.14 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -172.1 57.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.511 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.01 -140.99 4.22 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -94.57 113.15 24.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.039 0.447 . . . . 0.0 110.514 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -108.22 107.64 18.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.721 -179.732 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.443 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -103.89 101.94 11.74 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 64' ' ' VAL . 10.8 tt -113.4 132.53 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.268 0.556 . . . . 0.0 111.736 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -124.91 51.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.736 178.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -143.32 -159.36 7.93 Favored Glycine 0 C--O 1.243 0.708 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.102 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 63' ' ' VAL . 1.7 m -106.37 122.27 59.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.041 0.448 . . . . 0.0 109.914 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' A' ' 60' ' ' ILE . 52.7 t -97.39 123.29 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' H ' HG13 ' A' ' 48' ' ' ILE . 4.2 tppt? -125.08 90.88 3.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.448 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.13 -140.81 9.1 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 7.3 p-10 -113.12 150.64 31.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.545 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.17 127.12 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.795 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -128.53 114.99 17.44 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.679 HG22 ' N ' ' A' ' 71' ' ' GLY . 12.5 p -167.33 175.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.546 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.679 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -73.34 -69.12 1.44 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -112.56 138.26 49.59 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.4 tp -124.05 118.73 27.62 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.001 0.429 . . . . 0.0 110.696 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.57 117.22 32.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.582 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.448 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.2 t -83.4 108.28 15.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.098 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -49.54 -163.92 0.01 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.036 -0.983 . . . . 0.0 113.348 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -84.85 -23.91 28.82 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.41 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 46.0 p -66.47 -25.82 66.89 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 119.228 -0.989 . . . . 0.0 108.578 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.62 38.78 72.97 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 114.974 -1.012 . . . . 0.0 114.044 176.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -111.62 113.22 25.47 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.152 1.476 . . . . 0.0 110.374 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.8 t -147.71 115.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.7 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.86 107.58 6.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.371 . . . . 0.0 110.058 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.7 -155.72 26.76 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -96.93 145.93 25.44 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -137.25 114.8 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.015 0.436 . . . . 0.0 111.392 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -117.39 120.19 37.4 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.685 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.09 172.44 15.86 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.121 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -86.17 -37.72 18.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.12 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.45 149.75 34.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.603 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.6 132.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.147 0.499 . . . . 0.0 111.787 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -112.9 128.89 56.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.935 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.9 t -109.32 138.31 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 121.151 0.501 . . . . 0.0 112.001 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -137.85 19.75 2.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.448 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.59 -152.13 6.39 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.805 -177.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 83.1 mtt180 -108.67 136.27 48.54 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 122.141 0.972 . . . . 0.0 113.255 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 p -136.45 122.24 28.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.641 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.66 114.33 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.936 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.47 -101.13 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.48 141.5 5.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.646 0.26 . . . . 0.0 110.302 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.7 pt -142.42 146.18 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.986 0.422 . . . . 0.0 111.142 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.8 m -132.99 120.57 21.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.956 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -156.58 163.17 39.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.351 . . . . 0.0 111.138 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -85.49 -24.81 27.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -139.71 122.09 16.06 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.528 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.567 HG21 ' ND1' ' A' ' 119' ' ' HIS . 12.1 t -121.47 131.44 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.503 ' NH2' ' OH ' ' A' ' 108' ' ' TYR . 36.7 mtp180 -132.61 107.28 8.33 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.873 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.7 mt -88.32 96.29 10.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.109 0.48 . . . . 0.0 111.621 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.506 ' O ' ' O ' ' A' ' 92' ' ' VAL . 54.1 m-85 -94.2 162.81 13.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.527 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.601 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 59.47 -165.04 10.59 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.254 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 m -68.46 31.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.104 -0.548 . . . . 0.0 109.909 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.601 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.5 p -45.61 138.31 4.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.387 0.613 . . . . 0.0 111.627 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.541 ' CZ ' ' OD1' ' A' ' 114' ' ' ASP . 64.1 t80 -136.69 128.45 29.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.864 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.94 118.2 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.032 0.444 . . . . 0.0 110.904 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.541 ' OD1' ' CZ ' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -133.39 106.44 7.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.297 179.775 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.78 -144.57 9.88 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -101.86 102.73 13.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.777 0.323 . . . . 0.0 110.494 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.3 tt -108.12 134.06 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.378 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 78.7 m -133.14 135.88 45.45 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.445 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.567 ' ND1' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -172.01 166.89 6.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.983 0.421 . . . . 0.0 110.861 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -97.43 -34.87 10.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.193 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -128.08 124.54 37.27 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.985 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.63 148.94 47.61 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.043 0.449 . . . . 0.0 110.481 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.79 118.92 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.762 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.4 OUTLIER -105.62 137.17 43.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.597 -179.562 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -124.32 158.93 31.44 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.261 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 126' ' ' THR . 6.5 t -40.83 125.72 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.72 4.39 39.67 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.68 116.4 28.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.734 0.302 . . . . 0.0 111.628 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 23.5 m-85 -129.6 102.51 6.4 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 9.3 p90 -132.31 119.56 20.93 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -178.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -120.71 100.14 6.94 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.56 176.87 33.78 Favored Glycine 0 C--N 1.321 -0.279 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -82.19 109.3 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.4 t -89.22 117.91 28.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.816 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 N--CA 1.462 0.172 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 179.821 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.807 0.337 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -127.96 126.57 41.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 mt -107.02 124.26 49.38 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 p -61.23 -167.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.79 -26.84 21.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.001 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.525 ' C ' HD22 ' A' ' 46' ' ' LEU . 15.2 m-20 -74.83 26.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.347 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.525 HD22 ' C ' ' A' ' 45' ' ' ASP . 4.0 mm? -112.35 132.76 54.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.208 0.528 . . . . 0.0 110.5 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.02 120.99 19.8 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.094 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.735 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.5 mp -86.45 135.43 25.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.975 0.417 . . . . 0.0 110.476 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -135.59 130.22 34.12 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.055 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.57 -70.29 2.16 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.33 135.98 2.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.1 p -137.52 144.07 32.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.1 p -102.77 108.04 19.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.932 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.35 -151.93 19.55 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 70' ' ' VAL . 79.9 tt0 -172.38 144.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.65 -146.48 50.35 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -82.82 121.41 26.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.857 0.36 . . . . 0.0 110.692 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.8 tp -120.49 107.65 13.13 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.535 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? -94.42 122.06 36.61 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.457 HD13 ' CG2' ' A' ' 64' ' ' VAL . 10.0 tt -135.4 130.96 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.174 0.512 . . . . 0.0 111.559 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 3.3 p30 -120.47 49.62 1.42 Allowed 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.13 -157.89 7.61 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.714 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 63' ' ' VAL . 2.8 m -105.29 124.2 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.155 -0.523 . . . . 0.0 109.925 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 60' ' ' ILE . 82.7 t -111.93 110.21 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.75 0.309 . . . . 0.0 111.423 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 48' ' ' ILE . 33.7 mtmt -125.18 106.59 10.01 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.424 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.29 -163.84 28.39 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -101.26 106.41 17.6 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.4 p -111.7 142.62 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.016 0.436 . . . . 0.0 111.173 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -128.4 136.04 50.35 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.204 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.9 p -167.69 171.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.573 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.568 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -79.84 -69.39 1.4 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.5 mtt85 -114.29 118.84 35.04 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.5 tp -104.32 131.73 51.34 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.047 0.451 . . . . 0.0 110.847 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -124.5 113.53 18.23 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.578 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.7 t -83.19 107.31 14.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.523 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.44 -160.66 0.01 OUTLIER Glycine 0 CA--C 1.526 0.738 0 CA-C-N 114.94 -1.027 . . . . 0.0 113.013 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -84.87 -20.62 30.53 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.2 m -66.66 -26.38 67.02 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 119.199 -1.0 . . . . 0.0 109.013 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.11 37.99 65.32 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.104 -0.953 . . . . 0.0 114.244 176.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -111.92 112.9 24.88 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.075 1.438 . . . . 0.0 110.285 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -149.14 110.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.098 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -137.0 106.97 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.16 -154.59 25.67 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 m -105.8 121.59 44.35 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.959 0.409 . . . . 0.0 110.2 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.6 p -122.32 130.06 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -121.25 133.08 55.14 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.929 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.92 167.52 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.467 ' N ' ' OE2' ' A' ' 88' ' ' GLU . 1.5 mm-40 -86.68 -41.52 14.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.095 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.34 143.12 39.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.675 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.63 138.36 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.186 0.517 . . . . 0.0 111.77 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -117.83 129.52 55.71 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.103 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.464 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -107.38 137.72 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.15 0.5 . . . . 0.0 111.852 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -136.2 19.7 3.19 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . -160.35 -152.06 6.42 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.543 -178.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 79' ' ' GLY . 70.5 mtp180 -107.58 135.63 48.71 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.113 0.959 . . . . 0.0 113.36 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.37 125.54 27.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.299 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.44 125.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.999 0.428 . . . . 0.0 111.067 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.75 -93.21 0.13 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.68 126.02 2.9 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.642 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 pp -126.73 142.08 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.225 0.535 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.3 m -133.81 118.13 17.66 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.211 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -164.52 147.42 8.89 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.958 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -74.51 -17.84 60.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.588 ' NE2' ' N ' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -145.06 123.9 12.67 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.779 -179.642 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.588 ' N ' ' NE2' ' A' ' 104' ' ' GLN . 2.8 m -140.53 137.82 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.962 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -128.15 118.03 22.65 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.97 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.614 ' N ' HD12 ' A' ' 107' ' ' LEU . 9.1 mp -87.56 94.91 9.85 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.239 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 92' ' ' VAL . 9.6 m-85 -94.85 162.01 13.93 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.11 178.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.608 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 66.23 175.04 6.02 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.958 178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.0 p -70.68 28.27 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.608 ' H ' ' C ' ' A' ' 109' ' ' GLY . 9.1 t -59.67 170.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.74 -177.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 5.3 t80 -146.73 142.67 28.05 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.451 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -130.76 121.73 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 120.986 0.422 . . . . 0.0 110.532 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -133.84 122.51 23.33 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.68 -157.08 27.15 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -90.05 123.56 34.03 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 73.5 mt -118.39 126.3 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.108 0.48 . . . . 0.0 111.288 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.5 m -122.78 99.44 6.39 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.24 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.535 ' H ' ' HD1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -140.07 153.56 46.8 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 111.237 -178.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.43 -37.86 10.74 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.767 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -132.13 131.14 42.01 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.886 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.22 149.64 44.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.146 0.498 . . . . 0.0 111.331 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -131.27 132.79 44.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.447 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.478 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 24.2 mmt -108.95 122.06 46.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.988 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -113.39 150.14 33.1 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.985 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.6 t -39.51 135.18 1.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.83 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.77 1.7 58.67 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.63 115.4 28.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.688 0.28 . . . . 0.0 111.039 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . 0.551 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 42.9 m-85 -129.92 103.28 6.69 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.478 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 28.1 p90 -132.1 125.62 31.79 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -126.46 100.39 6.23 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 176.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.66 176.67 33.13 Favored Glycine 0 C--N 1.318 -0.445 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -82.08 108.31 15.46 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.0 t -95.45 125.3 39.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.643 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 N--CA 1.464 0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.469 179.858 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.466 0.36 0 CA-C-O 120.837 0.351 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.74 134.94 34.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.222 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.66 135.46 53.91 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.8 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.3 m -64.39 -163.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.047 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.523 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.47 -41.2 13.7 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.191 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.5 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -71.89 29.74 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.704 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -113.42 128.43 56.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.336 0.588 . . . . 0.0 110.926 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.0 p -128.38 108.19 10.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.085 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.1 mm -96.06 146.87 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.112 0.482 . . . . 0.0 111.128 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' GLY . 50.9 mt-10 -102.4 94.49 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.474 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.577 ' C ' ' H ' ' A' ' 67' ' ' ASP . . . -35.01 108.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 67' ' ' ASP . . . 173.45 13.59 0.02 OUTLIER Glycine 0 CA--C 1.519 0.313 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.422 ' H ' ' H ' ' A' ' 51' ' ' GLY . 15.6 m -104.45 151.4 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.27 -0.465 . . . . 0.0 110.827 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.7 m -135.34 136.47 41.55 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . 165.57 105.6 0.19 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 54' ' ' GLY . 37.5 mt-10 -51.53 -170.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.792 0.33 . . . . 0.0 111.026 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.95 175.06 39.55 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.49 129.0 34.82 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.984 0.421 . . . . 0.0 110.564 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 tp -134.49 108.25 8.01 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -97.95 134.81 40.55 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 60' ' ' ILE . 16.0 tt -135.71 126.62 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.473 . . . . 0.0 111.306 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -113.49 46.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.439 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -146.19 -160.2 8.59 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 63' ' ' VAL . 9.1 p -107.49 126.71 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 115.637 -0.281 . . . . 0.0 110.664 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.3 p -135.74 122.29 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 120.895 0.379 . . . . 0.0 111.21 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 50' ' ' GLY . 52.0 pttt -127.04 144.08 51.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.286 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 84' ' ' SER . . . 126.06 -135.68 9.22 Favored Glycine 0 N--CA 1.47 0.9 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' A' ' 50' ' ' GLY . 18.9 t0 -113.52 113.04 24.57 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.125 0.488 . . . . 0.0 110.855 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.6 t -117.0 128.07 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.668 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.7 ttm-85 -127.14 126.03 42.21 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.915 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.666 HG22 ' N ' ' A' ' 71' ' ' GLY . 14.8 p -162.89 169.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.134 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.666 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -73.14 -72.04 1.02 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -114.67 120.51 40.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.242 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 tp -104.3 129.6 52.15 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.982 0.42 . . . . 0.0 110.729 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.0 m -123.52 112.68 17.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.547 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -82.63 108.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.248 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.8 -159.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 CA-C-N 114.881 -1.054 . . . . 0.0 113.147 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -84.85 -23.95 28.79 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 51.5 m -66.89 -26.31 66.81 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.169 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.0 39.07 78.12 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-O 118.675 -1.07 . . . . 0.0 114.925 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 78' ' ' THR . 5.8 m80 -111.28 112.96 25.1 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.439 1.62 . . . . 0.0 110.46 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -148.57 110.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.778 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 65' ' ' LYS . 26.0 tt0 -138.17 107.09 5.97 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.056 0.455 . . . . 0.0 110.464 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.16 -155.23 26.3 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 109.849 -1.301 . . . . 0.0 109.849 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 66' ' ' GLY . 3.1 m -104.34 129.99 52.2 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.8 p -138.64 146.49 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.09 0.471 . . . . 0.0 111.326 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -136.1 128.99 31.17 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.937 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.406 ' O ' ' OG ' ' A' ' 102' ' ' SER . . . -158.94 140.1 12.99 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.833 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 88' ' ' GLU . 1.2 mm-40 -54.89 -50.44 68.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.222 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.05 146.95 52.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.987 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -153.1 135.29 6.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.13 0.49 . . . . 0.0 111.616 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -119.82 114.96 22.9 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.139 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 94' ' ' GLY . 2.4 t -88.97 136.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.124 0.488 . . . . 0.0 112.072 -178.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -135.01 19.29 3.45 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . -160.12 -152.65 6.61 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.406 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 79' ' ' GLY . 60.7 mtp180 -108.04 134.6 50.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 122.188 0.994 . . . . 0.0 113.083 -177.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 96' ' ' VAL . 3.3 p -139.74 119.52 13.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.422 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 97' ' ' VAL . 18.6 m -134.9 127.09 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.778 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.17 -87.54 0.14 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -166.31 130.79 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.309 . . . . 0.0 110.399 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.47 143.23 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.1 0.476 . . . . 0.0 110.807 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.2 m -132.93 129.67 38.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.112 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 87' ' ' ALA . 17.2 t -154.77 158.63 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.617 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 2.0 mptp? -80.36 -34.08 36.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.288 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -143.88 133.12 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.865 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.52 149.33 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.072 0.463 . . . . 0.0 111.256 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -140.58 115.79 9.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.425 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 107' ' ' LEU . 7.6 mp -77.81 96.87 5.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.024 0.44 . . . . 0.0 111.438 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 13.6 m-85 -93.1 161.35 14.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.215 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.578 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 67.59 176.3 9.26 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.573 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 m -73.26 28.02 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.578 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.0 t -54.84 162.78 1.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.984 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -134.7 150.86 50.65 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.317 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.41 115.54 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.841 0.353 . . . . 0.0 110.428 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -133.93 106.73 7.42 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.948 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.64 -168.94 34.97 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.76 115.44 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.0 tt -117.81 140.45 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.058 0.456 . . . . 0.0 110.944 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.3 m -136.81 122.06 19.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.685 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.566 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -158.98 167.74 28.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 111.109 -179.188 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -94.3 -44.5 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.174 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -126.11 128.06 46.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.463 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.485 HD22 ' CD2' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -128.47 147.63 50.68 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.16 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.22 153.63 49.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.138 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.405 ' O ' ' OE2' ' A' ' 125' ' ' GLU . 4.4 mtp -131.05 132.73 45.12 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.622 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 124' ' ' MET . 17.9 mm-40 -122.11 163.15 19.98 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.439 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.0 m -43.76 112.67 0.42 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.183 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 109.61 6.59 28.72 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.39 117.27 28.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.965 0.412 . . . . 0.0 110.779 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -127.89 114.45 17.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -132.16 108.68 9.43 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -128.52 98.57 5.07 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 175.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.87 178.06 34.34 Favored Glycine 0 C--N 1.317 -0.505 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -81.35 109.0 15.44 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 t -87.75 135.47 33.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.8 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.133 179.774 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.772 0.32 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.02 108.67 6.6 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.444 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.4 mp -99.71 128.72 45.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.182 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 44' ' ' ALA . 47.0 t -65.69 -168.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.731 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -82.54 -28.66 30.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.454 ' C ' HD22 ' A' ' 46' ' ' LEU . 39.0 m-20 -69.46 10.17 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.507 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -102.86 130.1 49.77 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.509 0.671 . . . . 0.0 110.902 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 47' ' ' THR . 6.0 t -138.55 118.8 13.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.322 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.4 mp -86.89 133.49 29.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -134.99 138.79 44.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.335 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.09 -86.65 1.39 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.81 120.93 0.89 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.21 132.31 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.96 0.41 . . . . 0.0 110.519 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 m -112.54 138.96 48.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.378 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.6 -164.08 30.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -170.01 123.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.03 -172.41 20.66 Favored Glycine 0 N--CA 1.464 0.566 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.7 112.94 13.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 0.0 110.275 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.3 tp -109.08 106.97 17.12 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -94.35 110.92 22.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 64' ' ' VAL . 3.5 tt -128.52 125.51 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.359 0.599 . . . . 0.0 111.693 -178.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 78' ' ' THR . 0.9 OUTLIER -110.08 52.47 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.21 -159.42 7.91 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.498 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.5 t -105.76 125.66 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.124 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 60' ' ' ILE . 96.3 t -110.36 121.73 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 120.909 0.385 . . . . 0.0 111.184 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -124.53 144.16 50.27 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.613 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.89 -160.84 26.55 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -79.92 150.7 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.821 0.343 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 86' ' ' TYR . 2.4 t -132.84 108.9 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.824 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 70' ' ' VAL . 77.8 mtm180 -107.4 110.36 22.32 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.206 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.598 HG12 ' N ' ' A' ' 71' ' ' GLY . 77.8 t -158.04 164.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.256 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.598 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -75.22 -68.06 1.62 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mtm-85 -116.97 118.63 32.94 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.8 tp -102.81 122.65 44.93 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 110.844 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -115.11 115.78 27.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.574 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.8 t -82.6 108.81 15.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.973 0.416 . . . . 0.0 110.442 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -49.48 -161.1 0.01 OUTLIER Glycine 0 CA--C 1.527 0.842 0 CA-C-N 114.68 -1.145 . . . . 0.0 113.595 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -84.46 -23.31 29.99 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 67.3 m -67.03 -25.19 66.16 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.23 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.5 38.51 80.83 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-O 118.882 -0.955 . . . . 0.0 114.432 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -112.94 113.48 25.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.048 1.424 . . . . 0.0 110.231 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -147.59 112.91 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.311 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -136.96 108.56 6.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.531 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.71 -156.43 27.6 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 m -101.74 116.46 32.78 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.11 111.4 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.395 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 68' ' ' VAL . 58.2 m-85 -114.04 117.78 32.26 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.69 178.49 6.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.031 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -80.2 -56.37 4.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.545 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.54 145.1 49.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.856 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 90' ' ' VAL . 3.7 m -138.7 123.42 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 121.132 0.491 . . . . 0.0 111.197 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -104.69 118.02 35.54 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.431 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.505 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.5 t -98.12 138.78 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 111.803 -178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.8 mtm105 -137.05 19.48 3.0 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.494 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -160.11 -150.92 6.0 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.431 -177.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -106.87 134.23 50.33 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 122.279 1.037 . . . . 0.0 113.404 -177.421 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.9 t -123.24 122.44 65.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 113.854 -1.521 . . . . 0.0 109.011 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.3 107.67 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.825 0.345 . . . . 0.0 110.573 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 155.8 -103.35 0.23 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -157.41 144.51 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.443 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.488 HG23 HD13 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -147.34 135.8 15.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.675 -179.715 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.4 m -133.34 131.66 40.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.208 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.2 m -165.11 158.03 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -70.33 -17.81 63.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -146.92 144.59 29.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.975 0.417 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.3 t -144.44 137.13 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.292 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -141.58 106.85 5.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.608 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mt -86.1 96.14 9.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.036 0.446 . . . . 0.0 111.706 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 92' ' ' VAL . 50.6 m-85 -94.02 163.02 13.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.552 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.604 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 63.04 -167.49 21.87 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.227 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.2 p -67.9 31.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.185 -0.507 . . . . 0.0 109.805 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.604 ' H ' ' C ' ' A' ' 109' ' ' GLY . 5.2 p -45.43 143.42 1.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.573 0.701 . . . . 0.0 112.032 -177.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -144.86 127.06 15.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.732 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.97 125.47 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 120.964 0.411 . . . . 0.0 111.032 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -132.96 105.21 6.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.5 -145.02 11.23 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.515 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -92.03 123.99 35.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.843 0.354 . . . . 0.0 110.631 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.488 HD13 HG23 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -116.7 139.46 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.83 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.2 m -148.37 136.37 20.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.951 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER 178.85 162.8 0.76 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.43 . . . . 0.0 110.788 -179.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -93.38 -36.54 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.694 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -128.38 139.57 52.31 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.583 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -152.53 149.62 28.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.088 0.47 . . . . 0.0 111.057 -179.149 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.446 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -144.05 128.19 17.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.695 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -104.81 119.03 38.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.245 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.465 ' N ' ' OE1' ' A' ' 125' ' ' GLU . 22.0 mp0 -103.94 157.93 16.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.284 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 t -41.39 144.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.731 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.37 0.19 80.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.42 115.88 28.4 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.169 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -129.52 102.04 6.21 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.482 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 12.8 p90 -132.99 122.78 24.73 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.88 99.82 7.17 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.86 175.36 34.41 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -83.39 109.14 17.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.2 t -91.07 112.99 25.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.0 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.9 mt . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.414 179.739 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.889 0.376 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -140.51 128.27 21.74 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.957 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 34.5 mt -100.31 136.95 39.41 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.3 m -63.95 -170.45 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.97 -25.63 23.07 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.015 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.5 ' C ' HD22 ' A' ' 46' ' ' LEU . 2.8 m-20 -70.98 16.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.682 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -109.08 130.33 55.48 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.324 0.583 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.53 114.45 14.89 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.02 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.5 mm -86.82 146.04 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -135.05 138.85 44.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.367 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.28 -67.6 3.59 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.41 137.11 2.73 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -129.72 151.43 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.456 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 p -107.62 110.11 21.91 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.777 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.22 -146.08 19.48 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.479 ' N ' HG23 ' A' ' 70' ' ' VAL . 77.9 tt0 -173.25 156.44 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 0.0 110.624 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.86 -147.29 29.86 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.93 135.39 34.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.456 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.497 ' C ' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -142.12 108.16 5.2 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.556 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.478 ' N ' HD13 ' A' ' 58' ' ' LEU . 1.3 tm0? -97.53 101.93 13.57 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' ' 60' ' ' ILE . 12.1 tt -98.85 116.44 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.321 -179.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 2.4 p30 -105.67 51.93 0.74 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.87 -159.79 8.47 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.5 p -108.5 112.01 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.059 0.457 . . . . 0.0 110.586 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.63 124.81 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.48 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -124.25 128.81 49.72 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.504 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.25 -159.57 16.83 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -89.83 128.49 36.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.813 0.34 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -116.88 126.56 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.559 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -123.59 118.9 28.38 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.466 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.628 HG22 ' N ' ' A' ' 71' ' ' GLY . 14.2 p -167.28 169.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.679 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.628 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -64.89 -77.41 0.25 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -114.84 118.77 34.46 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tt -109.28 125.64 52.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.686 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.8 p -127.58 124.77 38.94 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.648 0.261 . . . . 0.0 110.57 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 1.0 OUTLIER -83.35 114.96 24.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 121.29 0.567 . . . . 0.0 109.887 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.9 -158.04 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.978 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -77.17 -21.24 54.33 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.052 -0.574 . . . . 0.0 112.465 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.8 m -67.0 -27.11 67.16 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 119.451 -0.899 . . . . 0.0 108.84 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.85 37.03 61.03 Favored Glycine 0 CA--C 1.524 0.634 0 CA-C-O 118.674 -1.07 . . . . 0.0 114.606 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -110.3 112.64 24.73 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.643 1.722 . . . . 0.0 110.281 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -149.52 115.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.735 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -139.04 107.03 5.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.014 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.09 -155.31 26.39 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.439 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 10.4 t -102.0 119.01 38.1 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.67 123.54 57.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.956 0.407 . . . . 0.0 111.24 -179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.439 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 96.2 m-85 -121.79 118.03 28.02 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.872 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.07 167.88 17.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.784 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' OE1' ' A' ' 104' ' ' GLN . 5.6 mm-40 -80.21 -35.47 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.169 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.53 153.66 46.25 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.066 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.7 m -149.35 125.78 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.787 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -114.87 116.09 28.01 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.192 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.475 ' O ' ' O ' ' A' ' 108' ' ' TYR . 5.9 t -96.08 134.27 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.216 0.532 . . . . 0.0 112.426 -178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.438 ' H ' HG22 ' A' ' 75' ' ' VAL . 64.5 mtt-85 -136.97 18.97 3.0 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.03 -151.66 6.25 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.807 -177.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 74.5 mtp180 -107.69 134.46 50.64 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.938 0.875 . . . . 0.0 113.125 -177.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.4 p -138.13 130.45 39.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.31 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 97' ' ' VAL . 5.7 p -138.12 115.34 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.008 0.432 . . . . 0.0 110.979 -179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.91 -87.31 0.11 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.69 144.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 100' ' ' ILE . 6.2 pt -142.73 147.01 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 111.282 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.2 m -132.84 121.13 22.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.207 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 p -162.7 155.53 19.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.693 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -74.71 -31.99 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 88' ' ' GLU . 24.3 mp0 -125.99 132.89 51.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.337 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.44 135.03 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -138.14 111.48 8.01 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.773 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.3 93.88 9.27 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.338 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.475 ' O ' ' O ' ' A' ' 92' ' ' VAL . 32.3 m-85 -96.49 161.08 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.483 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.572 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 60.79 -162.7 21.04 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.286 178.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.4 p -67.57 32.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.041 -0.579 . . . . 0.0 110.31 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.572 ' H ' ' C ' ' A' ' 109' ' ' GLY . 15.3 t -45.14 129.29 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.281 0.562 . . . . 0.0 111.54 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -132.93 112.15 11.63 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.395 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.62 122.98 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.023 0.44 . . . . 0.0 110.425 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -132.72 107.93 8.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.3 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 151.07 -142.54 9.62 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.462 ' OD1' HD11 ' A' ' 135' ' ' LEU . 28.9 t0 -93.97 130.49 40.06 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.772 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.4 133.96 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.895 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.0 m -143.45 118.14 9.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.004 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -166.58 155.6 10.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.091 0.472 . . . . 0.0 110.953 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -87.34 -43.29 12.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.608 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -117.76 136.29 53.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.584 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.14 149.45 41.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.128 0.489 . . . . 0.0 110.833 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -144.96 121.08 10.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.762 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 124' ' ' MET . 1.1 mmt -104.87 134.85 47.3 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 110.817 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 36.7 mp0 -125.11 164.99 19.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.483 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.5 m -48.97 140.39 9.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.376 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 92.73 -0.03 69.74 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.37 116.0 28.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -129.52 103.56 6.95 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 130' ' ' PHE . 9.2 p90 -130.89 114.86 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.473 ' NE2' ' N ' ' A' ' 131' ' ' GLN . 3.2 mp0 -114.46 100.23 8.15 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.37 176.06 33.86 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -82.43 108.83 16.14 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 34.9 t -86.81 117.95 25.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.721 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.462 HD11 ' OD1' ' A' ' 116' ' ' ASP . 26.7 mt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.343 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.782 0.325 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 42' ' ' LEU . 7.2 tp -140.68 111.99 7.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.58 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.3 mp -101.66 120.75 40.82 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.277 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -52.61 179.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.722 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.51 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.6 -34.98 17.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -72.79 30.89 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 44' ' ' ALA . 5.5 tp -128.9 143.12 50.8 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.328 0.585 . . . . 0.0 111.106 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 t -133.68 135.83 44.34 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.011 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.56 145.24 7.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.17 0.509 . . . . 0.0 111.171 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -135.21 137.8 43.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.17 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 -109.11 2.97 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.04 123.53 1.31 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 m -106.24 149.99 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.771 0.32 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.6 t -142.72 145.8 33.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.497 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.551 ' O ' HG23 ' A' ' 70' ' ' VAL . . . 173.0 97.53 0.11 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -55.93 139.5 46.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.716 0.294 . . . . 0.0 110.618 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.75 -163.35 23.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.15 116.47 29.06 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 tp -112.43 108.61 17.81 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.826 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.434 HE22 ' CA ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -100.71 102.21 13.26 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' GLY . 16.0 tt -109.91 135.07 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.096 0.474 . . . . 0.0 111.597 -178.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 78' ' ' THR . 28.4 t70 -125.14 47.12 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.436 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -142.15 -158.83 7.69 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.288 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.1 p -106.34 138.33 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.287 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.76 125.16 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 120.868 0.366 . . . . 0.0 111.305 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -124.81 91.33 3.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.322 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.02 -155.93 26.74 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.29 155.68 17.38 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.795 0.331 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.5 t -137.85 136.63 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -127.99 119.42 25.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.185 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.676 HG22 ' N ' ' A' ' 71' ' ' GLY . 13.5 p -168.06 171.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.877 0.37 . . . . 0.0 111.111 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.676 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -76.04 -66.67 1.82 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -114.67 122.78 47.51 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 74' ' ' THR . 2.1 tt -111.27 110.17 20.52 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.881 0.372 . . . . 0.0 110.611 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.506 ' N ' HD23 ' A' ' 73' ' ' LEU . 11.2 m -103.94 118.88 37.72 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.285 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.5 t -83.77 106.68 14.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.209 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.29 -162.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 CA-C-N 115.151 -0.932 . . . . 0.0 113.011 -178.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.496 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -84.12 -19.52 34.07 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.445 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.496 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 62.8 m -67.17 -26.76 66.8 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.857 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.23 37.56 65.06 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 114.963 -1.017 . . . . 0.0 114.172 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -112.38 113.67 25.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.818 1.309 . . . . 0.0 109.784 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -147.58 117.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.548 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -137.85 108.33 6.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.114 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.28 -155.8 26.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.404 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 8.2 t -104.74 118.24 36.07 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.9 t -97.58 126.06 50.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.054 0.454 . . . . 0.0 110.977 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.404 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 72.8 m-85 -127.49 117.22 21.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.829 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.56 178.41 7.38 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.798 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -91.62 -34.15 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.134 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.85 143.8 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.705 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -138.52 130.61 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.161 0.505 . . . . 0.0 111.452 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.486 ' CD ' HH21 ' A' ' 106' ' ' ARG . 20.5 mt-10 -115.43 106.39 13.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.273 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.509 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -88.39 135.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.439 . . . . 0.0 112.081 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.89 18.97 3.02 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.431 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -160.38 -153.26 6.86 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.74 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.3 mtp180 -108.59 139.7 43.0 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 -177.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.65 136.4 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.042 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.82 119.17 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.423 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.78 -99.61 0.19 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.89 148.25 15.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 pt -143.24 139.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.126 0.489 . . . . 0.0 111.256 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.6 m -133.2 117.36 17.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.579 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.6 t -159.68 166.77 29.89 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.481 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -73.65 -47.59 38.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.753 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -128.08 142.96 51.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.884 0.373 . . . . 0.0 110.806 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.576 ' O ' HG23 ' A' ' 105' ' ' VAL . 13.5 m -133.46 120.59 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.486 HH21 ' CD ' ' A' ' 91' ' ' GLU . 56.8 mtm-85 -118.45 107.89 14.36 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.526 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.57 96.57 10.14 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.134 0.492 . . . . 0.0 111.445 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.509 ' O ' ' O ' ' A' ' 92' ' ' VAL . 27.2 m-85 -93.39 162.78 13.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.177 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.604 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.12 177.8 5.2 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 110' ' ' THR . 2.6 p -71.06 28.84 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.604 ' H ' ' C ' ' A' ' 109' ' ' GLY . 74.2 m -48.34 158.15 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.853 -177.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -140.27 132.67 28.44 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.558 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.46 124.11 24.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -134.9 116.69 15.03 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.667 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.95 -154.08 25.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.13 134.4 35.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.696 0.284 . . . . 0.0 110.408 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.41 142.26 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 120.968 0.414 . . . . 0.0 110.445 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 43.4 p -149.71 89.3 1.61 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.877 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.776 ' CE1' HD11 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -140.09 160.83 39.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.7 -179.488 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 10.8 mp0 -100.73 -32.74 10.57 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.764 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.49 ' C ' HD22 ' A' ' 122' ' ' LEU . 3.5 mp0 -116.72 126.59 53.37 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.905 0.384 . . . . 0.0 110.274 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.776 HD11 ' CE1' ' A' ' 119' ' ' HIS . 4.2 mm? -104.34 134.15 48.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.386 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.408 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -151.55 128.6 11.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.778 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.575 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -143.39 139.61 30.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.73 -179.441 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -120.78 172.87 7.58 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.013 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.3 m -42.43 122.89 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.622 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 105.24 9.57 33.62 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.45 116.97 27.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.041 0.448 . . . . 0.0 111.225 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.42 104.74 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 130' ' ' PHE . 1.2 t80 -131.62 109.03 9.93 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.018 0.437 . . . . 0.0 111.997 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -131.7 100.27 5.06 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.46 178.19 33.92 Favored Glycine 0 C--N 1.317 -0.477 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -80.54 108.31 14.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.4 p -97.44 124.74 41.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.185 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 135' ' ' LEU . 10.4 mp . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.032 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.85 0.357 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.5 m -136.64 17.82 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.251 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -155.38 53.43 0.61 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.7 p -55.99 161.07 2.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.439 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 42' ' ' LEU . 1.9 tt -141.86 110.91 6.28 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.581 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.525 ' N ' HD23 ' A' ' 41' ' ' LEU . 10.1 mp -100.05 113.17 25.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.404 ' N ' HD12 ' A' ' 46' ' ' LEU . 70.1 m -52.16 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.36 -28.46 22.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.669 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -72.96 24.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.322 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 44' ' ' ALA . 45.4 mt -122.88 142.75 50.44 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.361 0.6 . . . . 0.0 111.026 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.29 135.03 38.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.4 mm -87.59 144.79 8.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.749 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -135.28 138.36 43.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.47 -95.12 0.51 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.41 141.29 6.85 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -135.66 145.78 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.838 0.351 . . . . 0.0 110.714 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.9 p -109.79 169.34 8.78 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.466 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.32 -179.6 48.76 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -144.66 149.71 36.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.53 -155.25 27.97 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -88.88 134.0 34.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.961 0.41 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -119.08 107.23 13.24 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.551 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.426 HE22 HG22 ' A' ' 74' ' ' THR . 69.9 tp60 -92.36 113.75 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 60' ' ' ILE . 16.1 tt -129.38 127.84 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.173 0.511 . . . . 0.0 111.823 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.445 ' OD1' ' O ' ' A' ' 42' ' ' LEU . 10.3 p-10 -121.81 48.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -138.0 -159.63 8.21 Favored Glycine 0 CA--C 1.525 0.706 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.402 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 m -106.35 134.87 46.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.333 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.67 120.33 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 120.921 0.391 . . . . 0.0 110.742 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -124.84 90.79 3.31 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.3 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.7 -139.65 8.4 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.91 158.86 17.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.929 0.395 . . . . 0.0 110.669 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.5 t -145.75 130.61 12.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -128.73 121.88 29.42 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.881 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.622 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.3 p -167.73 173.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.058 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.622 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -78.96 -68.62 1.47 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.661 -0.975 . . . . 0.0 110.661 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -112.19 142.34 44.78 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 74' ' ' THR . 2.1 tt -135.14 114.17 12.1 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 111.418 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.575 ' N ' HD23 ' A' ' 73' ' ' LEU . 16.8 m -106.34 118.45 36.69 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.713 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.8 t -83.23 108.4 15.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.827 0.346 . . . . 0.0 110.295 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.53 -161.52 0.01 OUTLIER Glycine 0 CA--C 1.526 0.753 0 CA-C-N 115.177 -0.92 . . . . 0.0 113.093 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -84.45 -20.83 31.14 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.4 m -66.86 -27.2 67.34 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.802 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.92 38.99 66.56 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-O 118.862 -0.965 . . . . 0.0 114.069 175.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -115.58 114.53 25.06 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.156 1.478 . . . . 0.0 110.89 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.88 113.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.396 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -131.64 107.94 9.17 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.347 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.79 -155.86 26.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.441 -1.063 . . . . 0.0 110.441 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.8 m -113.85 115.73 28.19 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.4 p -109.56 130.69 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.189 0.518 . . . . 0.0 111.282 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -121.01 118.08 28.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.488 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.22 176.65 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 0.0 110.76 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 88' ' ' GLU . 1.3 mm-40 -91.42 -36.43 13.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.734 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -150.72 144.81 25.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.1 m -147.1 140.78 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 121.169 0.509 . . . . 0.0 111.708 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -117.09 110.52 18.31 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.022 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -88.15 134.9 26.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.248 0.547 . . . . 0.0 112.032 -178.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -135.19 18.66 3.41 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.436 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -160.58 -154.11 7.23 Favored Glycine 0 CA--C 1.534 1.239 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.121 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 59.8 mtt-85 -108.21 133.47 52.41 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.15 0.976 . . . . 0.0 113.36 -177.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.03 108.66 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.656 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.438 HG12 ' CB ' ' A' ' 114' ' ' ASP . 35.9 m -117.9 128.3 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.973 0.416 . . . . 0.0 110.839 -179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.34 -92.69 0.13 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.12 136.16 6.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 110.389 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 tt -131.47 139.58 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.2 m -133.42 106.56 7.55 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.75 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.0 m -162.14 139.29 8.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.785 0.326 . . . . 0.0 110.689 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -68.58 -23.52 64.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -126.12 127.43 45.76 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.716 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.1 t -146.88 136.58 16.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.61 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.9 mtt180 -140.37 115.01 9.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.793 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 107' ' ' LEU . 10.7 mp -84.35 95.5 8.76 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.102 0.477 . . . . 0.0 111.144 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.458 ' O ' ' O ' ' A' ' 92' ' ' VAL . 20.0 m-85 -94.21 161.58 14.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.724 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.606 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.6 178.59 6.26 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.891 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.0 p -70.82 27.99 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.606 ' H ' ' C ' ' A' ' 109' ' ' GLY . 17.1 p -52.05 169.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.678 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.519 ' CD2' ' O ' ' A' ' 129' ' ' PHE . 6.6 t80 -149.43 145.93 27.19 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.231 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 t -138.76 125.67 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.928 0.394 . . . . 0.0 110.717 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.438 ' CB ' HG12 ' A' ' 97' ' ' VAL . 5.8 t0 -133.94 108.31 8.33 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.681 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.16 -159.89 29.71 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -88.37 117.29 27.19 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.4 mt -105.41 142.44 18.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.196 0.522 . . . . 0.0 110.888 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.3 m -144.47 102.12 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.587 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.461 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -147.44 143.81 28.18 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.02 0.438 . . . . 0.0 111.337 -179.247 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.515 ' OE2' ' CD1' ' A' ' 137' ' ' PHE . 46.0 mm-40 -82.5 -45.18 15.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.822 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -117.05 124.83 50.23 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.628 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.408 HD23 ' N ' ' A' ' 122' ' ' LEU . 0.5 OUTLIER -135.91 149.32 48.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.185 0.517 . . . . 0.0 111.182 -179.064 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -139.51 130.46 26.29 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.889 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 17.4 mmt -105.1 123.59 48.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -115.23 147.21 40.64 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.976 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -39.74 118.87 0.91 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.937 0.398 . . . . 0.0 110.839 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 116.08 3.99 18.99 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.66 115.04 27.72 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.828 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.519 ' O ' ' CD2' ' A' ' 112' ' ' TYR . 79.0 m-85 -130.37 102.41 6.17 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 18.4 p90 -132.61 123.3 26.16 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -120.42 99.73 6.74 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 175.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.53 176.36 33.9 Favored Glycine 0 C--N 1.319 -0.411 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -83.47 108.44 16.62 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 26.0 m -98.74 140.77 32.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.616 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 51.3 mt -118.06 109.3 16.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.109 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -87.76 141.37 28.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.27 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.515 ' CD1' ' OE2' ' A' ' 120' ' ' GLU . 69.0 t80 -80.83 109.4 15.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.475 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -81.57 -74.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.625 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.602 -179.759 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.2 mttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.778 0.323 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.71 96.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.674 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.96 84.92 2.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.422 ' OG ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -64.54 162.33 15.65 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 42' ' ' LEU . 12.4 tp -137.81 110.06 7.36 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.837 0.351 . . . . 0.0 111.071 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 42' ' ' LEU . 9.6 mp -101.93 123.1 45.27 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.138 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 m -58.82 -172.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.058 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.53 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.84 -25.99 20.75 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.791 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -72.47 29.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.39 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.53 ' H ' ' C ' ' A' ' 44' ' ' ALA . 75.9 mt -126.04 128.46 47.45 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.318 0.58 . . . . 0.0 111.147 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.42 109.72 13.07 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.464 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.7 mt -86.15 136.8 22.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.037 0.446 . . . . 0.0 111.232 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -135.54 139.46 43.96 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.351 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.13 -110.91 4.0 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.33 101.86 0.21 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.46 147.87 4.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.814 0.34 . . . . 0.0 110.51 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.9 p -123.01 151.24 42.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.457 ' H ' HH21 ' A' ' 69' ' ' ARG . . . -169.77 -177.93 40.53 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -143.54 -173.38 3.94 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.807 0.337 . . . . 0.0 110.483 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 53.99 -141.08 33.85 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -106.11 139.83 40.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.814 0.34 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.462 HD11 HD13 ' A' ' 42' ' ' LEU . 51.1 tp -132.57 110.47 10.49 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.633 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -95.76 103.14 15.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.703 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.4 tt -108.81 139.61 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.302 0.572 . . . . 0.0 111.645 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' OG1' ' A' ' 78' ' ' THR . 36.5 t70 -129.61 53.64 1.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.862 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -149.17 -159.81 8.79 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.86 136.98 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.755 0.312 . . . . 0.0 110.568 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 64' ' ' VAL . 16.9 m -135.39 125.8 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 121.01 0.433 . . . . 0.0 110.852 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -124.57 110.25 14.22 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.77 -156.63 25.49 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.571 -1.012 . . . . 0.0 110.571 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.61 140.62 30.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.952 0.406 . . . . 0.0 110.245 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.2 t -128.09 112.28 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.505 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.476 ' C ' ' HE ' ' A' ' 69' ' ' ARG . 1.2 tmm_? -112.32 116.0 29.67 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.44 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.581 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.4 p -165.04 169.27 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.522 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.581 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -71.43 -67.79 1.78 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.8 mtt-85 -124.7 119.83 30.07 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.352 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 45.9 tp -103.61 121.87 43.81 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -112.67 118.25 34.51 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.622 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 t -83.51 109.13 16.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.051 0.453 . . . . 0.0 110.859 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.62 -157.5 0.01 OUTLIER Glycine 0 CA--C 1.527 0.798 0 CA-C-N 114.701 -1.136 . . . . 0.0 113.075 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 15.4 mt-10 -84.37 -23.59 30.06 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -178.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.444 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 7.4 p -66.98 -26.62 66.9 Favored 'General case' 0 CA--C 1.518 -0.258 0 C-N-CA 119.044 -1.062 . . . . 0.0 108.954 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.67 39.19 75.02 Favored Glycine 0 CA--C 1.522 0.512 0 CA-C-O 118.789 -1.006 . . . . 0.0 114.032 176.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 78' ' ' THR . 63.4 m80 -108.42 111.45 23.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.364 1.582 . . . . 0.0 110.766 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -149.6 112.03 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.768 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -138.97 106.76 5.64 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.202 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.87 -155.39 26.45 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.4 p -99.11 116.06 30.46 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.8 t -102.44 134.11 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.66 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -132.31 118.05 18.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.053 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.47 178.03 7.05 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.223 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -94.57 -42.3 8.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.531 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.01 139.16 51.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.47 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.98 111.23 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -105.59 107.51 18.54 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.6 t -87.81 135.56 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.276 0.56 . . . . 0.0 112.336 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -135.98 20.27 3.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.471 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.0 -153.67 6.91 Favored Glycine 0 CA--C 1.533 1.171 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.183 -178.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 27.5 mtm180 -108.02 140.03 41.78 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.367 1.08 . . . . 0.0 113.716 -177.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.4 p -138.26 128.19 34.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 114.025 -1.443 . . . . 0.0 108.973 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.8 m -138.94 116.16 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 121.071 0.462 . . . . 0.0 111.347 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.97 -89.29 0.12 Allowed Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -166.81 147.12 5.77 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.2 pt -146.49 141.91 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 120.978 0.418 . . . . 0.0 111.098 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.8 m -132.89 118.5 19.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.852 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.1 m -158.58 164.48 36.03 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.185 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.522 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.0 mptt -75.89 -47.14 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.559 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -134.3 134.23 41.64 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.734 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.14 132.77 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.5 mtt85 -123.52 132.54 53.93 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.812 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.64 ' N ' HD12 ' A' ' 107' ' ' LEU . 8.9 mp -89.73 96.39 10.67 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.338 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 92' ' ' VAL . 16.4 m-85 -93.64 161.77 14.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.636 178.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.626 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 66.47 176.8 7.57 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.866 179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -70.23 28.17 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.626 ' H ' ' C ' ' A' ' 109' ' ' GLY . 20.6 t -52.68 169.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.9 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.435 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 5.1 t80 -149.43 146.43 27.45 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.046 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.3 t -140.55 121.86 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 120.902 0.382 . . . . 0.0 110.674 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -133.32 108.75 8.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.67 -160.0 29.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.33 122.03 31.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.721 0.296 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.74 133.83 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.043 0.449 . . . . 0.0 110.704 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.6 m -131.03 97.14 4.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.514 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.477 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -144.89 161.66 38.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.999 0.428 . . . . 0.0 111.114 -178.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -99.43 -45.37 5.86 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.728 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -118.07 134.43 54.99 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.783 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.0 149.76 31.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.009 0.433 . . . . 0.0 111.025 -179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -136.51 145.24 44.87 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.848 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.546 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 21.7 mmt -117.4 113.06 21.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.961 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -102.9 156.58 17.56 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.37 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 126' ' ' THR . 7.0 t -44.58 121.38 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.593 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 112.25 3.36 26.03 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.59 115.56 28.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.772 0.32 . . . . 0.0 111.366 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 48.5 m-85 -129.52 101.79 6.1 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 177.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.546 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 21.6 p90 -132.6 120.54 21.94 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -120.6 100.42 7.12 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 107.197 -1.409 . . . . 0.0 107.197 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.8 176.28 33.36 Favored Glycine 0 C--N 1.318 -0.431 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 40.5 ttt85 -82.48 108.8 16.16 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 25.1 t -85.26 146.79 26.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.01 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.465 HD23 ' C ' ' A' ' 135' ' ' LEU . 2.5 tt -129.82 109.99 11.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.546 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.423 ' N ' HD23 ' A' ' 135' ' ' LEU . 18.1 mtpp -92.52 115.06 27.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.272 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -50.21 121.06 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.363 . . . . 0.0 110.694 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -88.99 150.1 22.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.614 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.43 ' CD ' ' C ' ' A' ' 139' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.677 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.8 mttm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.879 0.371 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.2 t -59.55 -62.89 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.501 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.87 129.34 54.05 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.601 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.445 ' C ' HD12 ' A' ' 41' ' ' LEU . 1.2 m -130.4 121.72 26.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.273 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.4 mp -102.15 120.95 41.29 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.348 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 50.2 mt -116.37 116.1 27.1 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.314 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.4 p -61.93 -168.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.025 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -84.26 -26.01 28.95 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.454 ' C ' HD22 ' A' ' 46' ' ' LEU . 69.1 m-20 -68.67 7.48 0.64 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.0 mm? -101.89 131.51 48.21 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.322 0.582 . . . . 0.0 110.867 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 109.74 9.34 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.925 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.8 mt -86.51 142.37 13.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.944 0.402 . . . . 0.0 110.783 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -136.07 140.61 43.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.593 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 92.1 -90.78 1.52 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.92 119.29 0.54 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -101.79 151.24 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.612 0.244 . . . . 0.0 110.371 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 128.27 24.82 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.869 0.366 . . . . 0.0 110.556 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 178.25 109.09 0.24 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -53.85 174.77 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.754 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.12 -173.56 23.42 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.44 -0.664 . . . . 0.0 111.44 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -89.94 134.47 34.2 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.9 tp -130.46 106.77 8.75 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.91 0.386 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -98.92 101.92 13.48 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 76' ' ' GLY . 12.4 tt -113.34 130.9 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 121.337 0.589 . . . . 0.0 112.334 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.462 ' O ' ' OG1' ' A' ' 78' ' ' THR . 5.5 p-10 -122.78 60.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.92 -158.35 8.77 Favored Glycine 0 CA--C 1.524 0.6 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.44 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.4 t -105.54 113.08 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.464 -0.368 . . . . 0.0 110.631 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 1.5 p -115.33 121.08 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 121.058 0.456 . . . . 0.0 110.204 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.4 mtpp -124.47 132.23 53.49 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.51 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.85 -157.68 18.3 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -93.4 118.67 31.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.835 0.35 . . . . 0.0 110.611 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.7 t -109.67 120.21 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.679 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -118.16 111.9 19.45 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.557 HG12 ' N ' ' A' ' 71' ' ' GLY . 75.7 t -154.33 161.76 2.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.923 0.392 . . . . 0.0 110.617 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.557 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -70.54 -49.81 29.05 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.42 ' H ' HG12 ' A' ' 70' ' ' VAL . 28.3 mtt180 -134.14 119.04 18.38 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.919 -0.401 . . . . 0.0 109.919 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.67 113.87 26.52 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.3 m -105.44 120.62 42.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.713 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.95 108.16 15.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.08 0.467 . . . . 0.0 110.586 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -53.53 -158.47 0.01 OUTLIER Glycine 0 CA--C 1.527 0.799 0 CA-C-N 114.904 -1.044 . . . . 0.0 113.216 -178.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -84.88 -23.66 28.86 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 7.6 m -66.86 -25.96 66.66 Favored 'General case' 0 CA--C 1.519 -0.246 0 C-N-CA 119.137 -1.025 . . . . 0.0 109.087 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.59 38.58 71.93 Favored Glycine 0 CA--C 1.524 0.605 0 CA-C-O 118.768 -1.018 . . . . 0.0 114.523 175.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -112.61 113.28 25.35 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.335 1.567 . . . . 0.0 110.474 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.6 t -146.65 115.68 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.52 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -139.34 108.02 5.92 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.835 0.35 . . . . 0.0 110.607 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.89 -155.53 26.59 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -102.15 115.91 31.55 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.8 t -103.15 134.91 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-O 121.051 0.453 . . . . 0.0 111.33 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -133.87 117.84 17.27 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.572 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.32 177.29 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.15 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -94.26 -43.4 8.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.08 140.65 50.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.277 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.45 111.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.585 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -103.87 105.68 15.95 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' A' ' 108' ' ' TYR . 51.7 t -88.56 136.49 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.205 0.526 . . . . 0.0 111.648 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -136.15 20.92 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.02 -151.07 5.99 Favored Glycine 0 CA--C 1.533 1.185 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.676 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' GLY . 34.9 mtp180 -107.79 133.89 51.53 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.934 0.873 . . . . 0.0 112.991 -177.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 p -139.77 126.83 24.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.723 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 97' ' ' VAL . 33.4 m -138.75 127.57 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.613 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.28 -96.97 0.17 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.76 133.52 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.06 138.26 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.618 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.5 m -133.21 139.42 46.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.373 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.466 ' OG ' ' CG2' ' A' ' 105' ' ' VAL . 7.1 p -172.15 172.36 4.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.468 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.7 mptt -82.58 -42.55 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.555 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.675 HE22 ' NE2' ' A' ' 121' ' ' GLN . 7.2 tp-100 -125.91 126.26 44.11 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.449 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.466 ' CG2' ' OG ' ' A' ' 102' ' ' SER . 92.3 t -132.88 128.96 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.494 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.0 mtt85 -131.02 119.21 21.7 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.908 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 107' ' ' LEU . 9.2 mp -86.57 95.76 9.86 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.182 0.515 . . . . 0.0 110.843 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.52 ' CD2' ' OE2' ' A' ' 125' ' ' GLU . 16.4 m-85 -93.95 162.65 13.81 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.289 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.602 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.17 -159.55 4.92 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.269 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.2 t -67.36 31.53 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.219 -0.49 . . . . 0.0 110.217 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.602 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.1 p -45.49 134.54 6.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.402 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 129' ' ' PHE . 49.3 t80 -138.03 116.75 12.23 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.072 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -121.45 120.56 62.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 120.985 0.422 . . . . 0.0 110.71 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -132.94 105.68 7.24 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.67 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.45 -154.12 25.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -92.29 116.17 28.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.652 0.263 . . . . 0.0 110.468 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.6 tt -120.16 134.39 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.336 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 20.2 m -131.96 132.86 43.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.509 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.498 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -170.28 168.82 7.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.552 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -100.42 -36.55 9.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.675 ' NE2' HE22 ' A' ' 104' ' ' GLN . 22.1 mt-30 -126.44 133.14 51.31 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.0 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.23 149.28 44.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.975 0.416 . . . . 0.0 110.851 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -134.13 137.39 44.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.778 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.613 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.3 mmt -113.59 124.82 53.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.52 ' OE2' ' CD2' ' A' ' 108' ' ' TYR . 24.3 tt0 -120.44 151.91 38.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.164 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -40.06 137.02 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.848 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 93.92 1.68 65.2 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.24 116.27 28.69 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.66 0.267 . . . . 0.0 111.307 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.415 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 27.2 m-85 -130.43 103.5 6.7 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.613 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 3.6 p90 -132.74 119.22 20.05 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -120.06 100.17 7.04 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.95 176.81 33.31 Favored Glycine 0 C--N 1.32 -0.328 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -81.76 109.34 16.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.4 t -89.96 112.98 24.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.755 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 20.8 mt -100.38 109.56 21.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.443 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.408 ' CD ' ' H ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -92.67 141.34 28.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.222 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -81.93 118.54 23.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.612 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -162.62 94.68 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.448 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.61 -179.899 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 38' ' ' VAL . 76.9 mttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.8 0.333 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 37' ' ' LYS . 96.5 t 54.59 108.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.67 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.67 98.06 6.81 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.457 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.9 m -84.71 162.31 19.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.716 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.5 tp -135.74 126.74 27.8 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.348 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -118.1 136.36 53.63 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.455 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -64.61 -178.42 0.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.52 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.55 -18.06 27.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -74.09 25.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.187 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 44' ' ' ALA . 12.7 mt -128.02 142.05 51.34 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.391 0.615 . . . . 0.0 110.951 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.2 p -136.61 128.19 28.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.18 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.2 mm -86.7 136.6 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.862 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -134.87 139.35 44.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.302 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.55 -100.14 2.63 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.89 116.31 0.7 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.51 151.18 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 t -145.17 130.99 19.08 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.606 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . 176.01 93.57 0.09 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 54' ' ' GLY . 19.6 mm-40 -48.37 178.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.841 0.353 . . . . 0.0 110.766 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.85 -175.98 40.62 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -90.23 116.05 27.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.524 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.4 tp -116.52 112.05 20.82 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.704 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.566 HE22 ' CA ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -98.27 112.48 24.46 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.289 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.557 HD13 ' CG2' ' A' ' 64' ' ' VAL . 11.5 tt -118.36 133.5 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.129 0.49 . . . . 0.0 111.621 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 78' ' ' THR . 25.0 t70 -117.27 50.61 1.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.065 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.77 -158.26 7.47 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.29 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.7 t -105.9 111.22 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 114.813 -0.693 . . . . 0.0 110.393 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.557 ' CG2' HD13 ' A' ' 60' ' ' ILE . 76.7 t -96.7 117.55 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.667 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -124.24 129.27 50.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.363 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.75 -150.95 18.03 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -89.48 150.45 22.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.851 0.358 . . . . 0.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.0 t -134.56 125.1 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.423 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -128.4 119.69 25.47 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.673 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.586 HG22 ' N ' ' A' ' 71' ' ' GLY . 5.2 p -167.99 163.47 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.662 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.586 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -68.7 -50.36 36.95 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.417 ' H ' HG22 ' A' ' 70' ' ' VAL . 37.3 mtt85 -136.27 118.63 15.7 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.898 0.38 . . . . 0.0 110.061 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.0 tp -102.84 115.4 30.52 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.622 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 58.1 m -110.95 115.82 30.14 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.869 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.3 t -82.91 110.52 18.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.117 0.484 . . . . 0.0 110.7 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.566 ' CA ' HE22 ' A' ' 59' ' ' GLN . . . -51.62 -158.47 0.01 OUTLIER Glycine 0 CA--C 1.526 0.75 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.767 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 45.5 mt-10 -85.0 -18.31 34.83 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.552 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 93.6 m -67.27 -26.38 66.52 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 119.33 -0.948 . . . . 0.0 108.904 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.01 37.99 64.41 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 114.972 -1.013 . . . . 0.0 113.839 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -114.73 113.63 24.55 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 118.978 1.389 . . . . 0.0 110.712 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.4 t -147.87 111.48 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.515 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -133.15 107.45 8.2 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.855 0.359 . . . . 0.0 110.205 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.99 -155.6 26.67 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.2 p -101.54 127.11 48.39 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 46.8 t -112.15 134.24 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.917 0.389 . . . . 0.0 111.527 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -130.54 118.71 21.47 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.657 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -167.44 166.49 14.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.19 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -87.1 -32.57 19.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.728 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.67 140.57 48.21 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.554 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 t -140.2 111.27 4.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.043 0.449 . . . . 0.0 111.247 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -110.47 114.96 28.79 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.24 179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.617 HG12 ' H ' ' A' ' 94' ' ' GLY . 18.1 t -103.92 136.45 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-O 121.159 0.504 . . . . 0.0 111.893 -178.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -129.97 20.06 5.46 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.617 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.65 -151.64 6.22 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.401 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 79' ' ' GLY . 64.6 mtm180 -107.01 134.48 50.1 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.289 1.042 . . . . 0.0 113.348 -177.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.7 p -138.03 128.54 36.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 113.994 -1.457 . . . . 0.0 109.199 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 97' ' ' VAL . 27.8 m -138.63 125.79 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 110.969 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.49 -99.03 0.19 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.78 137.33 9.81 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.6 pt -142.36 143.11 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.811 0.338 . . . . 0.0 111.184 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 101' ' ' THR . 12.9 t -133.3 121.11 21.94 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.237 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.4 t -160.18 152.61 20.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.519 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.0 mptt -67.92 -33.37 74.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.738 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -134.09 138.06 45.03 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.448 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.3 t -138.61 128.15 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.506 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -127.96 110.53 12.62 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.835 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.817 ' N ' HD22 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -87.91 96.85 10.64 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.119 0.485 . . . . 0.0 111.058 -179.144 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 14.4 m-85 -93.56 162.5 13.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.103 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.628 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 68.2 176.12 10.43 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.615 178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -71.15 28.22 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.628 ' H ' ' C ' ' A' ' 109' ' ' GLY . 38.3 p -49.33 157.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.133 -0.939 . . . . 0.0 113.307 -177.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -132.94 128.31 36.2 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 114.303 -1.317 . . . . 0.0 108.921 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 117' ' ' ILE . 57.6 t -123.68 121.53 62.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.989 0.424 . . . . 0.0 110.901 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -134.16 107.61 7.81 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.99 -163.75 34.99 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -97.75 117.43 32.04 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.793 0.33 . . . . 0.0 110.197 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.569 HD12 ' CZ ' ' A' ' 130' ' ' PHE . 7.6 mt -102.53 142.56 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.189 0.519 . . . . 0.0 110.971 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.9 m -133.45 86.99 2.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.709 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.516 ' CE1' HD22 ' A' ' 122' ' ' LEU . 0.0 OUTLIER -137.99 161.7 36.03 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.038 -179.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -99.95 -28.56 13.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.04 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -130.13 129.41 43.49 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.184 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.516 HD22 ' CE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -125.16 149.12 48.22 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.38 -179.654 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -142.25 120.81 12.51 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.207 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.0 mtp -104.99 126.84 52.49 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.795 0.331 . . . . 0.0 110.713 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 13.3 mp0 -117.15 162.78 17.3 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.322 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.2 p -41.49 122.25 1.88 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.469 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 97.18 9.27 55.88 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.34 116.1 24.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.171 0.51 . . . . 0.0 111.021 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -129.0 106.91 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 117' ' ' ILE . 2.0 t80 -131.56 108.74 9.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -125.34 99.12 5.92 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.99 177.89 34.52 Favored Glycine 0 C--N 1.32 -0.346 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -81.44 108.48 15.08 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 t -91.75 129.82 37.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.532 -178.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.6 mt -106.83 110.03 22.09 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -85.8 136.0 33.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.326 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -91.08 134.11 34.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.504 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.409 ' HG2' ' H ' ' A' ' 138' ' ' GLN . 6.8 pt20 -80.58 82.47 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.535 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.766 0.317 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.3 m -74.94 -16.98 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.912 0.387 . . . . 0.0 110.251 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.65 35.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.279 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.0 m -153.69 159.06 41.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.613 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.629 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -135.45 143.14 45.74 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.309 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 mt -119.82 123.71 44.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.5 p -52.52 -179.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.057 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.509 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.36 -37.71 14.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.928 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 p-10 -71.49 29.71 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.801 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.4 tp -121.15 141.26 50.99 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.243 0.544 . . . . 0.0 111.106 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.6 m -133.2 132.29 41.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.933 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.695 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.5 mp -86.47 142.43 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.621 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -135.65 140.24 44.38 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.924 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.65 -107.13 2.44 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.43 128.23 1.97 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 52' ' ' VAL . 11.7 p -124.3 127.66 73.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.907 0.384 . . . . 0.0 110.663 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.5 t -105.25 155.99 18.54 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -164.64 -162.84 16.45 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -163.84 156.33 17.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.45 -155.28 32.25 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -88.58 135.06 33.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.899 0.38 . . . . 0.0 110.463 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 tp -135.73 111.84 9.65 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -88.65 101.53 14.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.981 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.1 tp -100.63 104.23 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 121.153 0.501 . . . . 0.0 110.584 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 78' ' ' THR . 31.9 t70 -105.87 41.76 1.35 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 80' ' ' HIS . . . -138.61 -160.13 8.31 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.464 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.7 p -107.32 119.9 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.184 0.516 . . . . 0.0 110.448 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -95.41 118.97 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' A' ' 48' ' ' ILE . 22.7 tptp -122.78 104.14 9.1 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 129.46 -145.39 16.35 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 6.1 t70 -108.05 148.55 29.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 110.515 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.459 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 10.6 p -146.66 135.4 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.645 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -127.15 132.99 50.42 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.332 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.634 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.8 p -168.02 174.49 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.525 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.634 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -76.46 -73.69 1.0 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -113.66 119.57 37.9 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.415 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.7 tp -102.15 122.85 44.95 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.907 0.384 . . . . 0.0 110.964 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.4 m -116.05 115.41 26.06 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.841 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.7 t -83.24 107.15 14.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.025 0.441 . . . . 0.0 110.847 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -53.12 -158.81 0.01 OUTLIER Glycine 0 CA--C 1.524 0.654 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.507 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -84.9 -17.29 38.32 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.431 HG22 ' ND1' ' A' ' 80' ' ' HIS . 34.6 m -67.35 -26.88 66.7 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 119.435 -0.906 . . . . 0.0 108.987 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.75 38.12 63.41 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 114.969 -1.014 . . . . 0.0 114.301 176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.431 ' ND1' HG22 ' A' ' 78' ' ' THR . 34.6 m170 -116.03 114.18 24.23 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.991 1.396 . . . . 0.0 110.399 178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.9 t -147.77 111.12 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.974 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -139.04 109.48 6.54 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.048 0.452 . . . . 0.0 111.085 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.63 -155.78 26.9 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -100.78 115.71 30.95 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -107.48 133.25 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 110.985 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -133.39 117.46 17.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.637 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.3 175.85 11.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.075 0.464 . . . . 0.0 110.932 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.66 -43.43 11.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.308 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.3 146.42 38.51 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.764 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 90' ' ' VAL . 3.3 m -146.16 127.32 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.029 0.442 . . . . 0.0 111.477 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -108.92 122.85 48.09 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 94' ' ' GLY . 3.6 t -103.83 136.49 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-O 121.331 0.586 . . . . 0.0 112.155 -178.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -135.12 19.82 3.43 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.537 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.47 -152.09 6.36 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.23 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -107.99 137.34 46.15 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.03 125.01 71.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 CA-C-N 113.661 -1.609 . . . . 0.0 108.968 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.18 108.95 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 110.439 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.62 -94.74 0.14 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -169.0 140.12 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.4 pt -143.89 149.22 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.002 0.43 . . . . 0.0 111.608 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.9 m -132.03 116.92 17.7 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.283 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.2 p -152.56 147.57 26.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.751 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -76.08 -21.91 56.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -147.13 135.33 21.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.144 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.406 HG23 HG23 ' A' ' 90' ' ' VAL . 3.5 p -148.91 146.21 17.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.22 0.533 . . . . 0.0 111.152 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -138.59 117.08 12.06 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.245 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.3 96.76 9.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.067 0.461 . . . . 0.0 111.883 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.455 ' O ' ' O ' ' A' ' 92' ' ' VAL . 16.4 m-85 -93.43 161.36 14.41 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.555 178.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.59 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 68.88 175.92 11.61 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.606 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.9 p -71.26 28.26 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.182 0.515 . . . . 0.0 109.89 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.59 ' H ' ' C ' ' A' ' 109' ' ' GLY . 20.9 p -49.5 158.43 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.403 -0.817 . . . . 0.0 113.145 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -140.59 109.56 6.08 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.628 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.0 t -112.8 116.44 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 111.067 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.433 ' OD2' ' O ' ' A' ' 131' ' ' GLN . 3.2 t70 -133.78 127.71 33.27 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.548 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 146.28 -172.12 26.96 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -75.91 104.27 6.37 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 17.2 tt -109.79 142.31 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.038 0.447 . . . . 0.0 111.377 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.2 m -132.47 121.36 23.25 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.407 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.31 155.08 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.717 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 1.1 mp0 -96.95 -46.67 6.12 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.361 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -118.26 128.22 54.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.306 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.405 ' N ' HD23 ' A' ' 122' ' ' LEU . 0.2 OUTLIER -138.15 140.24 39.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.078 0.466 . . . . 0.0 111.0 -179.25 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -126.32 151.11 47.99 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.73 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.1 mtp -132.85 112.74 12.17 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.755 0.312 . . . . 0.0 110.843 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 5.6 mp0 -101.32 170.62 8.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.176 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.0 t -44.9 129.54 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 91.9 9.24 62.67 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.99 116.71 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.109 0.48 . . . . 0.0 110.788 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -128.62 119.23 24.34 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 130' ' ' PHE . 40.3 t80 -131.96 111.89 11.93 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.433 ' O ' ' OD2' ' A' ' 114' ' ' ASP . 70.7 mm-40 -128.46 97.6 4.77 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 174.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.49 176.67 35.39 Favored Glycine 0 C--N 1.321 -0.26 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.459 HH11 HD11 ' A' ' 135' ' ' LEU . 77.1 ttt-85 -83.19 109.56 17.31 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.251 -1.388 . . . . 0.0 107.251 176.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.4 t -86.44 126.04 34.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.165 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.475 HD12 ' N ' ' A' ' 135' ' ' LEU . 8.5 mp -95.62 129.0 42.95 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.841 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -82.1 129.66 34.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.693 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 137' ' ' PHE . 23.4 p90 -63.62 137.58 58.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.43 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -154.9 138.47 16.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.56 -179.883 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' CB ' ' NZ ' ' A' ' 37' ' ' LYS . 2.9 ttmp? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.783 0.325 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 39' ' ' ALA . 7.2 m -79.81 -36.75 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.536 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.412 ' N ' HG23 ' A' ' 38' ' ' VAL . . . -111.3 154.82 23.96 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.596 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.475 ' C ' HD12 ' A' ' 41' ' ' LEU . 74.1 m -146.79 121.64 9.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.438 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 41' ' ' LEU . 9.3 mp -101.02 109.95 21.91 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 42' ' ' LEU . 9.4 mp -93.47 119.75 32.92 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.278 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.9 m -51.07 169.15 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.599 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . -86.67 -24.0 25.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.61 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -74.94 27.48 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.979 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 44' ' ' ALA . 33.0 mt -126.69 145.57 50.53 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 121.384 0.611 . . . . 0.0 110.986 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.448 HG22 ' CG1' ' A' ' 63' ' ' VAL . 11.1 p -130.28 133.49 46.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.635 179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.451 ' O ' ' O ' ' A' ' 65' ' ' LYS . 19.5 mm -86.48 135.08 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.792 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -134.75 130.97 37.01 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.0 -108.14 3.44 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.96 118.78 0.86 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 p -109.09 149.54 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.595 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.59 149.37 52.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.44 ' O ' HG13 ' A' ' 70' ' ' VAL . . . -178.77 64.85 0.08 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -42.31 118.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.808 0.337 . . . . 0.0 110.657 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.504 ' H ' ' H ' ' A' ' 71' ' ' GLY . . . 139.6 -166.53 25.55 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -79.41 113.38 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.395 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.2 tp -118.02 107.56 14.18 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.623 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.477 ' NE2' ' OD1' ' A' ' 61' ' ' ASP . 1.1 tm0? -98.52 118.24 34.77 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 62' ' ' GLY . 10.7 tt -127.92 130.56 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.18 0.514 . . . . 0.0 111.487 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -119.19 48.71 1.44 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -138.07 -159.42 8.13 Favored Glycine 0 CA--C 1.524 0.64 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.194 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.448 ' CG1' HG22 ' A' ' 47' ' ' THR . 3.4 p -106.71 125.73 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 121.037 0.446 . . . . 0.0 110.519 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -100.18 117.77 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.014 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' O ' ' O ' ' A' ' 48' ' ' ILE . 4.3 tppt? -124.65 91.04 3.36 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.312 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.64 -140.78 9.21 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 11.8 t0 -110.53 152.44 26.38 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.751 0.31 . . . . 0.0 110.683 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.519 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 56.8 t -144.03 126.05 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.451 ' O ' HG23 ' A' ' 70' ' ' VAL . 15.5 ttp180 -126.56 114.25 17.85 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.941 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.555 HG12 ' N ' ' A' ' 71' ' ' GLY . 53.9 t -155.99 162.09 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 110.888 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.555 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -60.56 -56.02 26.69 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.559 ' HE ' ' CG2' ' A' ' 74' ' ' THR . 33.0 ttt180 -130.23 141.43 50.63 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 74' ' ' THR . 1.8 tt -129.08 113.34 15.01 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.892 0.377 . . . . 0.0 110.993 -179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.559 ' CG2' ' HE ' ' A' ' 72' ' ' ARG . 20.2 p -110.12 121.01 44.25 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.815 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.09 112.5 20.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.144 0.497 . . . . 0.0 110.943 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -51.92 -161.27 0.01 OUTLIER Glycine 0 CA--C 1.525 0.702 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.909 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -84.92 -20.2 31.06 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.167 -0.517 . . . . 0.0 112.362 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.2 m -66.95 -26.05 66.64 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.281 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.21 38.62 78.34 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-O 118.801 -1.0 . . . . 0.0 114.869 176.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -115.16 113.98 24.68 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.236 1.518 . . . . 0.0 110.059 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.4 t -147.79 111.18 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.023 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -136.02 108.22 7.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.888 0.375 . . . . 0.0 110.288 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.1 -155.44 26.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 t -99.48 115.9 30.36 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 t -104.33 131.35 53.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.046 0.45 . . . . 0.0 111.033 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -132.29 117.6 18.39 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.915 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -161.98 170.71 18.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.8 -36.67 12.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.078 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.22 138.8 50.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.482 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 t -140.91 125.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.173 0.511 . . . . 0.0 111.551 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' OE1' ' NH2' ' A' ' 72' ' ' ARG . 68.3 mt-10 -123.48 106.45 10.63 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 94' ' ' GLY . 2.5 t -88.81 139.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.203 0.525 . . . . 0.0 111.89 -178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -135.91 19.22 3.25 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.525 ' N ' ' OG ' ' A' ' 111' ' ' SER . . . -160.87 -151.7 6.32 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.233 -178.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' GLY . 26.6 mtm180 -107.63 133.35 52.2 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 122.102 0.953 . . . . 0.0 113.169 -177.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.26 113.86 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 CA-C-N 114.209 -1.359 . . . . 0.0 109.472 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 97' ' ' VAL . 13.1 m -128.7 126.81 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.949 0.404 . . . . 0.0 110.743 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.9 -94.55 0.15 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.494 -1.042 . . . . 0.0 110.494 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.4 137.6 9.3 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.2 pt -143.85 140.36 25.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.087 0.47 . . . . 0.0 111.546 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 67.3 m -132.91 127.0 33.37 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.136 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.416 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 21.3 m -164.87 170.83 14.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.825 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -82.26 -47.73 12.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -126.12 137.77 53.63 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.578 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.06 137.7 46.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.061 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -136.43 107.25 6.62 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.894 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -81.4 96.75 7.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.168 0.509 . . . . 0.0 111.128 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.486 ' O ' ' O ' ' A' ' 92' ' ' VAL . 19.1 m-85 -93.47 162.77 13.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.184 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.627 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 67.17 174.53 6.86 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.338 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 75.4 p -70.23 27.76 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.303 0.573 . . . . 0.0 109.638 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.627 ' H ' ' C ' ' A' ' 109' ' ' GLY . 32.0 m -53.27 160.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.687 -177.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -130.64 150.97 51.59 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 114.812 -1.086 . . . . 0.0 108.987 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 62.0 t -141.99 118.8 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -134.68 107.55 7.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.08 -159.03 30.72 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -92.88 117.7 30.32 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.69 142.68 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.333 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.547 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 8.7 m -149.66 112.43 4.8 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.628 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.547 ' ND1' ' O ' ' A' ' 118' ' ' THR . 52.8 m-70 -154.68 174.24 15.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.063 0.459 . . . . 0.0 111.056 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.447 ' OE2' ' CD1' ' A' ' 137' ' ' PHE . 36.1 mm-40 -99.45 -25.66 14.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.242 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.547 ' C ' HD22 ' A' ' 122' ' ' LEU . 41.7 mt-30 -137.93 123.38 19.57 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.071 0.462 . . . . 0.0 110.61 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.715 HD22 ' N ' ' A' ' 122' ' ' LEU . 2.7 mm? -105.48 147.7 28.01 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.0 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -150.65 118.86 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.395 . . . . 0.0 110.429 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.2 mmm -106.43 124.45 49.62 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -113.45 164.27 13.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.364 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.7 m -43.23 128.89 4.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.436 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 89.82 9.4 66.17 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.52 116.85 24.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.472 . . . . 0.0 111.076 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -128.14 105.64 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -128.58 108.8 10.81 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 111.937 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -127.67 98.86 5.35 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.25 178.63 34.42 Favored Glycine 0 C--N 1.319 -0.373 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.425 ' HE ' HD21 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -81.0 108.69 14.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 177.295 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.9 t -89.95 131.63 35.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.634 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.425 HD21 ' HE ' ' A' ' 133' ' ' ARG . 92.5 mt -114.52 118.45 33.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.622 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.8 tptt -85.77 106.17 16.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.257 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.447 ' CD1' ' OE2' ' A' ' 120' ' ' GLU . 28.5 t80 -79.92 124.21 28.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.525 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -137.29 -173.45 3.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 39' ' ' ALA . 45.8 mtmt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.839 0.352 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 57' ' ' GLU . 17.1 t 57.55 -78.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.529 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 37' ' ' LYS . . . -98.35 82.39 2.89 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.241 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.92 154.32 29.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.589 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' C ' HD22 ' A' ' 42' ' ' LEU . 51.6 tp -126.21 110.14 13.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.49 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.554 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.8 mm? -97.16 131.96 43.4 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.287 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 m -66.28 -164.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -86.38 -22.87 26.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -74.54 28.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 47' ' ' THR . 0.2 OUTLIER -114.49 122.28 46.09 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.249 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.548 ' N ' HD13 ' A' ' 46' ' ' LEU . 75.5 m -130.61 122.49 27.55 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.258 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.456 ' O ' ' O ' ' A' ' 65' ' ' LYS . 32.0 mm -86.65 133.08 30.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.788 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -135.46 125.38 25.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.313 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.0 -108.95 3.73 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.41 120.2 0.95 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -108.65 151.01 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 120.818 0.342 . . . . 0.0 110.296 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.8 143.6 50.32 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.584 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.43 -172.14 40.84 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.646 -0.981 . . . . 0.0 110.646 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -147.16 157.2 43.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.77 0.319 . . . . 0.0 110.268 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.03 -165.65 15.29 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 38' ' ' VAL . 52.6 tt0 -96.03 121.67 38.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.019 0.438 . . . . 0.0 110.734 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.479 ' C ' HD13 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -117.2 107.63 14.69 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.525 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.584 HE22 ' CA ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -92.46 101.93 14.38 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.4 tt -112.08 135.37 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 121.41 0.624 . . . . 0.0 112.12 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -123.13 55.74 1.19 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.094 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -144.84 -158.98 7.85 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.497 -177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.2 t -105.61 119.61 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.218 -0.491 . . . . 0.0 110.335 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.458 ' CG2' HD13 ' A' ' 60' ' ' ILE . 65.7 t -103.7 112.75 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.456 ' O ' ' O ' ' A' ' 48' ' ' ILE . 49.4 mtpt -124.52 110.71 14.82 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.794 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.13 -157.8 22.63 Favored Glycine 0 N--CA 1.466 0.657 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 68' ' ' VAL . 9.1 t0 -92.15 149.82 21.27 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.408 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 86.3 t -143.4 132.13 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.055 0.455 . . . . 0.0 111.074 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -128.46 110.95 12.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.008 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.668 HG12 ' N ' ' A' ' 71' ' ' GLY . 40.6 t -149.13 170.67 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.683 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.668 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -86.05 -45.14 5.75 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -133.19 122.86 24.61 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.0 tp -120.32 116.91 26.46 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.999 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.1 m -111.76 121.38 44.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.821 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.3 t -83.21 108.29 15.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.069 0.461 . . . . 0.0 110.852 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.584 ' CA ' HE22 ' A' ' 59' ' ' GLN . . . -51.11 -163.55 0.01 OUTLIER Glycine 0 CA--C 1.525 0.686 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.775 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -85.38 -18.15 34.58 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 77.2 m -66.93 -26.19 66.73 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 119.347 -0.941 . . . . 0.0 108.868 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.56 37.38 67.17 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 114.832 -1.076 . . . . 0.0 114.779 175.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -113.98 112.78 23.85 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 119.173 1.486 . . . . 0.0 110.102 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.7 t -148.87 112.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.67 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -134.82 107.89 7.64 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.15 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.27 -155.32 26.4 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.4 t -111.35 123.53 50.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.51 141.01 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.208 0.527 . . . . 0.0 111.066 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -128.26 117.62 21.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.529 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -154.98 176.82 12.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.99 0.424 . . . . 0.0 110.829 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -94.92 -53.29 3.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.81 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.03 135.46 47.6 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.139 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.27 143.58 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.786 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -120.74 112.67 19.14 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.217 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.483 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -86.66 135.52 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.126 0.489 . . . . 0.0 111.808 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -135.58 18.85 3.32 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.516 ' N ' ' OG ' ' A' ' 111' ' ' SER . . . -160.51 -152.45 6.57 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.58 -178.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' A' ' 79' ' ' GLY . 64.3 mtp180 -107.43 132.36 53.28 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.232 1.015 . . . . 0.0 113.114 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 p -137.45 123.34 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 114.091 -1.413 . . . . 0.0 109.374 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 97' ' ' VAL . 31.3 m -138.96 124.8 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.594 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.78 -91.52 0.12 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.46 124.2 3.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.392 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.9 tt -121.15 136.88 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 121.072 0.463 . . . . 0.0 110.832 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.8 m -133.61 110.52 9.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.192 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 m -156.53 164.07 38.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.053 0.454 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -86.43 -29.07 23.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -138.82 130.68 27.83 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.427 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.0 p -148.25 141.63 18.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.164 0.507 . . . . 0.0 111.108 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -135.69 128.56 31.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.562 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 107' ' ' LEU . 6.9 mp -88.5 95.02 10.06 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.704 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.483 ' O ' ' O ' ' A' ' 92' ' ' VAL . 23.0 m-85 -93.7 162.04 14.1 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.853 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.612 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 62.97 176.57 3.3 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.605 179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -70.81 28.02 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.612 ' H ' ' C ' ' A' ' 109' ' ' GLY . 53.2 m -57.33 169.93 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.629 -177.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 4.1 t80 -144.8 144.56 31.22 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.016 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.64 116.97 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.827 0.346 . . . . 0.0 110.354 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -133.72 114.82 13.86 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.017 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.73 -160.37 29.27 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -84.37 102.41 12.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.696 0.284 . . . . 0.0 110.248 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.422 HG21 ' CE1' ' A' ' 119' ' ' HIS . 80.5 mt -93.81 142.92 12.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 121.135 0.493 . . . . 0.0 110.973 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.1 m -140.86 106.05 5.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.464 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.485 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -155.31 145.55 21.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.395 0.617 . . . . 0.0 111.699 -179.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.42 -26.4 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.142 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -127.29 124.46 38.83 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.428 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.72 149.8 32.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.025 0.441 . . . . 0.0 111.545 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -144.16 138.01 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.648 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.54 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -104.76 127.34 52.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.964 0.411 . . . . 0.0 110.76 -179.252 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -113.62 149.85 33.97 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.783 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.8 m -40.49 116.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.847 0.356 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 116.11 4.77 18.14 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.64 28.25 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.747 0.308 . . . . 0.0 111.311 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.537 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 43.0 m-85 -130.17 102.81 6.39 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.532 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 8.8 p90 -132.81 130.01 39.28 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -178.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -128.36 100.44 5.81 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 175.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.81 177.2 33.04 Favored Glycine 0 C--N 1.32 -0.331 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -81.42 108.12 14.76 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 17.1 m -89.51 111.07 21.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.467 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 32.0 mt -96.53 113.47 25.04 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.641 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -91.79 133.38 35.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.538 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 139' ' ' ARG . 18.5 t80 -68.05 117.05 9.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.153 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 53.12 -91.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.327 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 137' ' ' PHE . 5.4 ptp85 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.511 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.3 pttp . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.913 0.387 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 t -79.02 -64.62 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.467 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.71 126.35 54.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.493 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.2 t -106.82 151.57 25.01 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.465 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.509 ' C ' HD12 ' A' ' 42' ' ' LEU . 17.7 tp -142.51 108.77 5.26 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.278 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 42' ' ' LEU . 8.9 mp -102.51 134.78 45.28 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.402 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.3 m -73.97 -165.11 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -79.33 -41.95 26.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.982 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.509 ' C ' HD22 ' A' ' 46' ' ' LEU . 10.3 t70 -72.94 29.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.902 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.509 HD22 ' C ' ' A' ' 45' ' ' ASP . 3.9 mm? -111.5 127.85 55.83 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.064 0.459 . . . . 0.0 110.46 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.66 108.89 11.5 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.974 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.2 mm -101.45 146.94 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.81 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' GLY . 86.9 mt-10 -99.95 100.6 11.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.419 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 65' ' ' LYS . . . -36.29 99.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 67' ' ' ASP . . . -178.87 18.71 0.03 OUTLIER Glycine 0 CA--C 1.518 0.25 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.66 148.27 4.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.506 -0.347 . . . . 0.0 110.784 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.5 p -139.68 113.56 8.73 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.497 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.36 -165.97 15.47 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -151.29 100.16 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.36 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.13 -164.09 36.52 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -88.26 114.87 25.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.772 0.32 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.09 107.66 15.94 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.747 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.578 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -105.96 102.09 11.54 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.193 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 76' ' ' GLY . 13.8 tt -109.6 135.52 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 121.215 0.531 . . . . 0.0 112.031 -178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.578 ' CG ' HE22 ' A' ' 59' ' ' GLN . 0.7 OUTLIER -126.76 56.59 1.48 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.266 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -151.17 -159.02 8.61 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.421 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 80' ' ' HIS . 43.8 t -106.47 113.22 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 CA-C-N 115.09 -0.555 . . . . 0.0 109.931 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.94 119.59 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 120.942 0.401 . . . . 0.0 110.563 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' GLY . 5.6 mtmp? -125.71 135.12 51.74 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.347 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.61 -132.5 8.23 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.431 -0.667 . . . . 0.0 111.431 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 51' ' ' GLY . 9.1 t70 -111.45 125.03 53.45 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.095 0.474 . . . . 0.0 111.436 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.9 t -123.23 123.99 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.403 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -127.64 122.14 32.3 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.526 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.629 HG22 ' N ' ' A' ' 71' ' ' GLY . 14.6 p -162.96 168.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.483 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.629 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -67.23 -48.7 57.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.476 HH21 ' NH2' ' A' ' 106' ' ' ARG . 73.2 ttt180 -138.23 123.46 19.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.746 0.308 . . . . 0.0 110.337 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -111.81 109.93 20.01 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.681 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.6 m -102.78 123.58 46.71 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.864 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.03 104.45 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.06 0.457 . . . . 0.0 109.999 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -51.39 -158.29 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 CA-C-N 114.936 -1.029 . . . . 0.0 113.09 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -84.48 -22.62 30.2 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.471 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 99.2 m -66.96 -26.46 66.83 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 119.256 -0.978 . . . . 0.0 109.256 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.16 37.8 65.16 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-O 118.832 -0.982 . . . . 0.0 114.23 176.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.471 ' ND1' ' O ' ' A' ' 78' ' ' THR . 12.6 m80 -113.94 113.11 24.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.269 1.535 . . . . 0.0 110.544 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.83 111.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.15 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -138.66 106.84 5.75 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.941 0.4 . . . . 0.0 110.417 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.97 -155.05 26.09 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.5 p -93.56 129.3 39.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.8 t -123.68 137.81 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.112 0.482 . . . . 0.0 111.17 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -137.12 130.98 32.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.748 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -171.87 170.9 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.027 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.92 -43.51 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.75 136.69 49.94 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.347 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.17 120.98 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 111.68 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -111.23 107.47 16.79 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.474 ' O ' ' O ' ' A' ' 108' ' ' TYR . 16.9 t -92.22 133.93 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.233 0.54 . . . . 0.0 112.44 -178.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -137.21 19.6 2.97 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.709 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.51 -151.32 6.1 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.919 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 68.9 mtp180 -108.18 134.25 51.29 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 122.12 0.962 . . . . 0.0 113.08 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.42 126.23 28.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 114.384 -1.28 . . . . 0.0 109.556 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 97' ' ' VAL . 16.1 m -138.84 122.66 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.925 0.393 . . . . 0.0 110.665 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.09 -98.05 0.17 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -163.0 137.91 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 100' ' ' ILE . 4.9 pt -141.72 144.95 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.975 0.417 . . . . 0.0 111.056 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.0 m -133.02 122.53 24.32 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.127 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.4 m -158.83 171.79 19.42 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.332 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.504 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 1.0 OUTLIER -83.09 -48.08 10.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.73 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -125.44 130.36 51.68 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.601 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.1 t -129.85 128.73 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' NH2' HH21 ' A' ' 72' ' ' ARG . 45.7 mtm-85 -127.05 117.2 21.98 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.828 ' N ' HD22 ' A' ' 107' ' ' LEU . 1.4 mm? -90.75 95.23 10.03 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.166 0.508 . . . . 0.0 111.222 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.474 ' O ' ' O ' ' A' ' 92' ' ' VAL . 37.5 m-85 -95.11 162.1 13.85 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.583 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.596 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 58.72 -164.12 9.3 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.308 178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.1 p -67.1 32.42 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.141 -0.529 . . . . 0.0 110.184 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.596 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.3 p -44.78 142.65 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.3 0.571 . . . . 0.0 111.455 -177.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -143.97 119.88 10.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.496 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.34 120.8 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-O 120.926 0.394 . . . . 0.0 110.488 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -132.7 102.84 5.83 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.476 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.14 -159.87 28.58 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -85.44 115.36 23.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.696 0.284 . . . . 0.0 110.556 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 117' ' ' ILE . 14.3 tt -116.55 127.73 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 99.5 m -119.63 132.43 55.7 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.222 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.54 ' N ' ' ND1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -174.04 154.51 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.475 ' OE2' ' N ' ' A' ' 120' ' ' GLU . 1.8 mp0 -88.09 -51.23 5.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.259 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -117.18 133.3 56.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.003 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.09 148.68 32.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.461 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -136.95 132.75 34.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.695 ' SD ' HD23 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -105.44 131.76 52.45 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.985 0.421 . . . . 0.0 111.092 -179.361 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -117.35 162.88 17.2 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.138 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.5 t -45.91 140.42 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.97 7.26 68.45 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.85 116.22 28.72 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.603 0.239 . . . . 0.0 111.53 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -129.87 102.5 6.33 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 9.2 p90 -132.81 115.51 15.38 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -114.39 100.1 8.07 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 175.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.89 177.03 34.0 Favored Glycine 0 C--N 1.322 -0.22 0 N-CA-C 110.008 -1.237 . . . . 0.0 110.008 -178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -82.11 109.41 16.4 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.522 ' C ' HD22 ' A' ' 135' ' ' LEU . 87.7 p -94.05 109.58 21.33 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.392 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.575 ' N ' HD22 ' A' ' 135' ' ' LEU . 3.7 mm? -102.82 114.85 29.45 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.166 179.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -111.76 118.22 34.99 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.909 0.385 . . . . 0.0 110.727 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' A' ' 138' ' ' GLN . 57.7 m-85 -97.78 112.37 24.3 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.583 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 137' ' ' PHE . 96.6 mm-40 53.7 105.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.623 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.465 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 90.0 mttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.821 0.343 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -45.03 130.07 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.461 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.22 122.62 20.67 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.356 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.1 m -115.53 151.22 35.27 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.659 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -120.39 109.01 14.82 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.287 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.488 ' N ' HD22 ' A' ' 42' ' ' LEU . 3.7 mm? -100.36 107.07 18.75 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.955 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 42' ' ' LEU . 21.7 m -49.5 -178.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.731 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.59 -27.82 19.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.041 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.457 ' C ' HD22 ' A' ' 46' ' ' LEU . 4.2 m-20 -69.44 12.15 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.368 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.528 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -102.32 137.51 40.47 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.234 0.54 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 p -130.26 120.29 24.19 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.816 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.1 mm -86.4 135.16 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.36 . . . . 0.0 110.398 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -134.26 139.56 45.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.588 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.85 -74.01 2.54 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.0 133.19 1.85 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.7 m -126.84 145.51 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 120.803 0.335 . . . . 0.0 110.403 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 59.1 p -102.38 167.12 10.17 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 175.49 -160.91 29.66 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -168.59 151.07 5.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.498 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.6 -163.1 18.66 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -85.72 121.74 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 tp -114.29 107.39 15.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.516 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.75 111.66 23.86 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' GLY . 13.8 tt -130.44 139.32 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.112 0.482 . . . . 0.0 111.713 -178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' OG1' ' A' ' 78' ' ' THR . 28.7 p-10 -128.3 53.19 1.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.49 -157.93 7.57 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.506 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 t -105.51 115.58 47.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 115.208 -0.496 . . . . 0.0 109.849 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 60' ' ' ILE . 57.7 t -104.98 111.46 34.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.218 -179.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -124.99 110.53 14.32 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.834 0.349 . . . . 0.0 110.693 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.26 -170.81 23.69 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -89.7 111.81 22.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.815 0.34 . . . . 0.0 110.229 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.5 t -109.76 136.13 46.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 120.96 0.41 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -128.31 127.67 43.16 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.284 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.1 p -167.27 166.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.408 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.462 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -62.12 -69.81 1.2 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.5 mtm180 -121.81 119.51 31.89 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.241 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 74' ' ' THR . 2.1 tt -101.26 117.71 35.53 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.504 ' N ' HD23 ' A' ' 73' ' ' LEU . 2.5 p -110.89 117.09 32.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.218 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.76 111.92 20.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -52.31 -161.54 0.01 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.02 -0.991 . . . . 0.0 113.182 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 77' ' ' GLU . 5.5 mp0 -85.24 -24.34 27.84 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 21.2 p -66.32 -25.07 66.66 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 119.343 -0.943 . . . . 0.0 108.703 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 57.01 38.79 87.61 Favored Glycine 0 CA--C 1.522 0.529 0 CA-C-O 118.595 -1.114 . . . . 0.0 115.03 175.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -109.44 112.0 23.86 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.565 1.683 . . . . 0.0 110.075 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.5 t -149.36 111.55 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.205 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.07 107.29 5.76 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.697 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.94 -155.2 26.27 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -92.13 133.45 35.76 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.0 t -129.72 134.62 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-O 121.133 0.492 . . . . 0.0 111.363 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -137.23 129.94 30.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.5 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 102' ' ' SER . . . -170.46 172.25 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.384 -0.527 . . . . 0.0 111.144 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -89.19 -39.61 13.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.117 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.36 143.72 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.449 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 t -144.62 116.67 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.091 0.472 . . . . 0.0 111.376 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -116.99 107.1 14.14 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.391 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.514 HG12 ' H ' ' A' ' 94' ' ' GLY . 52.6 t -89.4 139.49 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.258 0.552 . . . . 0.0 112.022 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -135.93 19.94 3.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.514 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.77 -151.83 6.29 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.551 -177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 74.9 mtt180 -107.74 135.36 49.29 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 122.089 0.947 . . . . 0.0 112.817 -177.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 p -138.63 132.55 41.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.71 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 97' ' ' VAL . 26.9 m -139.58 116.09 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 110.776 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 162.84 -101.52 0.19 Allowed Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -154.79 148.89 25.87 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.1 tt -147.29 134.03 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.169 0.509 . . . . 0.0 111.291 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.5 m -133.93 120.55 20.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.597 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 72.7 m -161.32 173.94 14.26 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.033 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.51 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 1.1 mptp? -84.79 -38.52 19.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.203 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -126.84 135.45 51.01 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.4 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.2 t -141.98 128.73 19.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.733 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.458 ' NH2' ' OH ' ' A' ' 108' ' ' TYR . 37.1 mtp180 -134.44 125.68 27.96 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.861 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.621 ' N ' HD12 ' A' ' 107' ' ' LEU . 8.6 mp -94.81 95.68 8.85 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 121.068 0.461 . . . . 0.0 111.26 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 92' ' ' VAL . 31.7 m-85 -94.22 161.78 14.12 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.1 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.606 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 59.44 -162.6 13.91 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.259 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 t -67.94 32.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.099 -0.551 . . . . 0.0 109.821 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.606 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.5 t -44.94 133.02 6.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.478 0.656 . . . . 0.0 112.003 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -133.66 126.92 31.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.836 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.0 t -133.81 122.87 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.994 0.426 . . . . 0.0 110.908 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -133.56 102.78 5.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.456 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.21 -150.01 20.6 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -86.01 122.61 30.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.445 ' CG2' ' NE2' ' A' ' 119' ' ' HIS . 0.6 OUTLIER -108.19 136.66 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.646 179.672 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 m -148.58 112.35 5.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.559 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -160.74 154.3 22.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 20.7 mp0 -91.6 -27.87 17.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.951 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -133.01 124.84 28.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.626 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.72 149.55 50.64 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.055 0.455 . . . . 0.0 111.132 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -141.9 124.02 15.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.7 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.612 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.7 mmt -105.36 118.81 37.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 111.023 -179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -109.41 153.11 24.45 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.903 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.11 128.92 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.728 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 104.03 -0.02 44.76 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.18 116.02 28.48 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 111.253 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -129.68 104.22 7.3 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.612 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 5.2 p90 -130.7 112.42 13.09 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -112.02 101.14 9.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.46 176.95 32.88 Favored Glycine 0 C--N 1.319 -0.391 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.433 ' HE ' HD21 ' A' ' 135' ' ' LEU . 58.1 ttp180 -81.39 108.3 14.88 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 177.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 m -88.85 115.76 26.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.878 -177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.433 HD21 ' HE ' ' A' ' 133' ' ' ARG . 23.1 mt -96.96 109.47 22.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.21 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -84.11 134.51 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.658 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 137' ' ' PHE . 23.5 p90 -55.84 111.71 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.363 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -165.15 -32.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.591 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.523 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 tptp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.749 0.309 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 m -46.83 -30.64 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.04 130.09 44.87 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -128.94 121.95 29.16 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.53 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.3 109.15 20.95 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 33.0 mt -107.14 117.55 34.36 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.496 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.3 p -49.09 177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.766 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.39 -25.98 21.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.699 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -73.06 29.67 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.376 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 44' ' ' ALA . 39.7 tp -121.78 138.92 54.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.209 0.528 . . . . 0.0 110.755 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.8 m -130.97 121.97 26.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.263 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mm -87.26 136.81 22.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.799 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -135.29 139.97 44.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.31 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.79 -100.3 2.65 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.45 116.6 0.71 Allowed Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.6 p -109.6 148.01 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.778 0.323 . . . . 0.0 110.386 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.24 111.73 15.57 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.37 -157.71 33.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' N ' HG23 ' A' ' 70' ' ' VAL . 61.9 tt0 -169.14 112.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.45 -140.62 15.15 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -81.78 114.78 20.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.842 0.353 . . . . 0.0 110.951 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.7 tp -105.19 107.24 18.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.027 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -99.05 106.43 18.66 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.499 HD13 ' CG2' ' A' ' 64' ' ' VAL . 9.4 tt -131.96 139.3 50.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 121.176 0.512 . . . . 0.0 111.49 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' C ' ' OG1' ' A' ' 78' ' ' THR . 16.7 p-10 -126.73 50.37 1.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.17 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.407 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -138.17 -160.12 8.36 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 63' ' ' VAL . 9.2 p -106.39 116.36 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 121.202 0.525 . . . . 0.0 110.209 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.499 ' CG2' HD13 ' A' ' 60' ' ' ILE . 47.6 t -105.19 119.8 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.208 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -124.08 138.22 54.47 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.449 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.96 -154.73 16.43 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -90.3 128.12 36.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.781 0.324 . . . . 0.0 110.331 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.8 t -116.9 123.92 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.296 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -128.33 122.95 32.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.611 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.549 HG22 ' N ' ' A' ' 71' ' ' GLY . 8.4 p -167.7 167.04 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.455 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.549 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -71.83 -69.64 1.36 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -112.89 119.22 37.23 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 tp -100.86 129.57 46.75 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 110.599 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.9 m -126.38 108.42 11.21 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.99 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -83.2 112.68 21.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.347 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -50.6 -161.52 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 CA-C-N 114.912 -1.04 . . . . 0.0 112.935 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -84.78 -23.8 29.03 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.435 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 31.8 p -67.04 -25.82 66.45 Favored 'General case' 0 CA--C 1.518 -0.286 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.832 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.463 ' HA3' ' H ' ' A' ' 95' ' ' ARG . . . 56.62 39.49 85.77 Favored Glycine 0 CA--C 1.522 0.475 0 CA-C-O 118.586 -1.119 . . . . 0.0 114.957 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 78' ' ' THR . 52.3 m80 -106.29 113.96 27.8 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.559 1.679 . . . . 0.0 110.473 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.2 t -148.43 110.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.051 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.06 107.0 7.96 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.46 -155.33 26.36 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -112.45 137.71 50.25 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -132.64 146.16 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 121.178 0.513 . . . . 0.0 111.185 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 26.7 m-85 -135.29 117.8 15.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.453 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -153.03 176.63 11.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.006 0.432 . . . . 0.0 111.123 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' A' ' 88' ' ' GLU . 3.1 mm-40 -93.2 -41.93 9.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.204 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.69 137.31 50.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.547 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.67 132.66 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.14 0.495 . . . . 0.0 111.673 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -131.77 112.34 12.42 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.119 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.579 HG12 ' H ' ' A' ' 94' ' ' GLY . 61.8 t -101.18 141.87 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 121.327 0.584 . . . . 0.0 112.55 -178.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -135.48 20.35 3.36 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.579 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.29 -151.45 6.13 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.745 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.463 ' H ' ' HA3' ' A' ' 79' ' ' GLY . 19.2 mtt-85 -107.86 136.64 47.23 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 122.272 1.034 . . . . 0.0 113.324 -177.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -139.02 129.29 32.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 114.09 -1.414 . . . . 0.0 109.146 179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 97' ' ' VAL . 6.6 p -138.11 108.35 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 170.46 -102.81 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.3 145.18 21.51 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.723 0.297 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 tt -140.6 140.25 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.074 0.464 . . . . 0.0 111.236 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 54.1 m -133.82 108.84 8.7 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.956 179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 50.7 m -153.89 165.59 35.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.026 0.441 . . . . 0.0 111.21 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.488 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 11.0 mptt -72.46 -57.37 4.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.294 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -125.77 134.56 51.69 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.081 0.467 . . . . 0.0 110.582 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.0 m -131.5 148.14 32.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.263 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 mtp85 -137.41 115.3 11.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.922 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 107' ' ' LEU . 8.5 mp -83.41 94.57 8.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.048 0.452 . . . . 0.0 110.333 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.466 ' O ' ' O ' ' A' ' 92' ' ' VAL . 2.8 m-85 -94.43 161.51 14.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.224 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.584 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.77 -158.93 5.95 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.177 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -66.97 32.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.127 -0.537 . . . . 0.0 110.308 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.584 ' H ' ' C ' ' A' ' 109' ' ' GLY . 1.8 t -45.21 129.67 7.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.267 0.556 . . . . 0.0 111.698 -177.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -133.33 110.73 10.26 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.311 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.42 120.78 65.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -133.19 107.12 7.98 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.372 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.57 -155.38 26.1 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -86.47 121.39 28.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.678 0.275 . . . . 0.0 110.581 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 87.2 mt -114.61 141.98 29.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 110.626 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.1 m -135.84 109.42 7.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.346 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.477 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -156.8 154.75 30.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.145 0.498 . . . . 0.0 111.613 -179.154 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 9.7 mp0 -97.02 -37.77 10.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.63 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -122.21 130.55 53.3 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.644 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.31 131.18 27.65 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.005 0.431 . . . . 0.0 111.115 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -119.88 126.14 50.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.472 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.609 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 22.9 mmt -104.58 113.61 27.3 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.941 0.401 . . . . 0.0 110.875 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -102.28 153.44 19.98 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.054 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 71.6 m -42.63 123.78 2.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 106.95 7.41 33.36 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.83 115.53 28.14 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.696 0.284 . . . . 0.0 111.491 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -130.68 103.57 6.68 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.609 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 3.9 p90 -132.45 114.95 14.93 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -115.26 100.47 8.16 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.26 175.65 33.89 Favored Glycine 0 C--N 1.321 -0.295 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.402 ' CZ ' HD21 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -82.73 108.72 16.3 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 177.078 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.8 t -92.81 130.49 38.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.064 -178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 133' ' ' ARG . 34.3 mt -101.27 115.42 30.46 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.412 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -95.46 125.51 40.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.494 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -69.57 125.2 25.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.475 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 61.74 146.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.401 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.592 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' CB ' ' NZ ' ' A' ' 37' ' ' LYS . 8.8 mtmp? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 m -43.73 -28.79 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.696 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.14 108.24 20.34 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.427 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 41' ' ' LEU . 23.4 p -112.39 126.77 55.65 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.823 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.558 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.1 mp -99.26 124.24 44.18 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.452 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.63 119.73 35.88 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.927 0.394 . . . . 0.0 110.361 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 m -53.68 -172.09 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.616 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.24 -29.89 18.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.08 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -68.52 10.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.462 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.522 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.6 mm? -95.14 131.42 41.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.095 0.474 . . . . 0.0 110.577 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.75 121.59 22.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.022 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.683 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.5 mp -86.56 133.03 30.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.986 0.422 . . . . 0.0 110.451 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -127.96 125.94 40.48 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.12 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.98 -86.1 1.08 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.05 120.33 0.88 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -96.28 132.83 39.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.909 0.385 . . . . 0.0 110.495 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.8 p -103.28 144.02 31.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -162.74 -177.89 36.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -170.62 72.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 110.509 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.62 -163.63 36.36 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -73.88 113.55 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.216 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.9 tp -108.75 107.67 18.2 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.866 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.47 103.39 13.76 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 76' ' ' GLY . 6.0 tt -123.55 131.16 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 121.182 0.515 . . . . 0.0 111.768 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -116.42 48.46 1.27 Allowed 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.434 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -137.99 -159.87 8.3 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.08 -178.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 63' ' ' VAL . 1.9 m -105.68 124.84 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 121.202 0.525 . . . . 0.0 110.818 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.7 t -105.95 115.7 48.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.668 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 48' ' ' ILE . 17.5 mtpp -123.86 123.35 40.26 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.41 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.17 -149.44 18.69 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -90.27 159.11 16.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.781 0.324 . . . . 0.0 110.371 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.1 t -143.16 124.05 10.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 ttt85 -128.23 118.42 23.27 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.529 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.567 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.7 p -167.39 167.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.6 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.567 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -76.14 -66.04 1.92 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -116.09 119.97 37.55 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 74' ' ' THR . 3.1 tt -105.84 117.73 34.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.014 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.577 ' N ' HD23 ' A' ' 73' ' ' LEU . 41.4 m -112.61 116.65 30.52 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.3 t -83.04 111.74 19.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.721 -179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -49.54 -162.07 0.01 OUTLIER Glycine 0 CA--C 1.526 0.77 0 CA-C-N 114.783 -1.099 . . . . 0.0 113.431 -178.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -84.6 -26.16 28.11 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.1 m -67.0 -25.59 66.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 119.327 -0.949 . . . . 0.0 108.916 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.5 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.53 38.6 81.58 Favored Glycine 0 C--O 1.223 -0.58 0 CA-C-O 118.667 -1.074 . . . . 0.0 114.185 176.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -108.64 113.65 26.81 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 119.651 1.725 . . . . 0.0 110.073 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.7 t -146.95 113.54 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.477 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -138.27 108.79 6.55 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.566 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.74 -157.36 28.58 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -102.41 115.96 31.64 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.4 t -100.64 138.56 24.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.998 0.428 . . . . 0.0 111.279 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -136.57 117.91 14.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.614 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.63 178.32 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.3 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -85.71 -56.01 3.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.681 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.86 148.77 51.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.916 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -145.9 123.7 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.245 0.545 . . . . 0.0 111.399 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -109.42 107.34 17.47 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.297 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 94' ' ' GLY . 40.8 t -86.07 139.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.327 0.584 . . . . 0.0 112.282 -178.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -134.48 19.93 3.63 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.567 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.48 -154.91 7.46 Favored Glycine 0 CA--C 1.531 1.057 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.671 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.5 ' O ' ' O ' ' A' ' 79' ' ' GLY . 11.2 ptm180 -110.71 134.15 52.72 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.421 1.105 . . . . 0.0 113.546 -178.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -126.34 127.89 70.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 114.359 -1.291 . . . . 0.0 109.246 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.5 t -133.34 114.32 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.805 -179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.76 -95.61 0.14 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.72 147.2 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.709 0.29 . . . . 0.0 110.25 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.4 pt -144.56 143.11 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 120.979 0.419 . . . . 0.0 111.283 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.0 m -133.28 117.58 17.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.874 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.0 m -157.48 177.26 11.62 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.238 0.542 . . . . 0.0 111.599 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.529 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 3.0 mptp? -86.61 -27.94 23.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.522 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -154.17 136.32 14.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.974 0.416 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 105' ' ' VAL . 3.3 m -133.05 120.03 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.097 0.475 . . . . 0.0 110.877 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -108.41 111.06 22.76 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.708 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.6 mt -81.72 93.93 6.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.25 0.547 . . . . 0.0 111.134 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 20.0 m-85 -95.64 161.51 14.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.173 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 54.51 -159.72 5.26 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.52 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 t -65.7 32.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.816 -0.692 . . . . 0.0 110.96 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.546 ' H ' ' C ' ' A' ' 109' ' ' GLY . 12.9 t -44.9 128.24 6.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.324 0.583 . . . . 0.0 111.397 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -131.9 110.01 10.49 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.521 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.486 HG11 HD11 ' A' ' 117' ' ' ILE . 3.1 t -114.88 119.25 61.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -133.49 102.84 5.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.217 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.38 -154.96 25.95 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -90.72 129.59 36.8 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.852 0.358 . . . . 0.0 110.967 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.591 HD12 ' CZ ' ' A' ' 130' ' ' PHE . 8.6 mt -119.31 143.26 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 54.5 m -145.23 102.93 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.1 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.461 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -149.97 168.43 23.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.662 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -102.72 -28.07 12.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.385 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -131.65 142.85 49.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.102 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.65 148.94 29.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.038 0.447 . . . . 0.0 111.176 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.28 133.84 22.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.696 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.1 mtp -115.39 136.91 52.61 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 111.135 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 128' ' ' ALA . 6.0 mm-40 -125.11 171.02 10.63 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.034 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.5 t -44.11 138.8 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.401 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.8 9.63 84.25 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 125' ' ' GLU . . . -89.27 116.63 27.64 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.966 0.413 . . . . 0.0 110.889 -179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -128.74 110.86 12.55 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.591 ' CZ ' HD12 ' A' ' 117' ' ' ILE . 0.8 OUTLIER -130.37 109.0 10.41 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.739 -178.796 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -131.47 99.21 4.75 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 176.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.07 178.03 34.53 Favored Glycine 0 C--N 1.319 -0.412 0 N-CA-C 108.464 -1.855 . . . . 0.0 108.464 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -81.05 108.49 14.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 p -86.43 149.95 24.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.399 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 136' ' ' LYS . 1.5 tt -117.73 115.02 24.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.847 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.441 ' N ' HD23 ' A' ' 135' ' ' LEU . 48.1 mttp -81.23 125.08 29.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.001 0.429 . . . . 0.0 110.504 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.47 ' CD2' ' O ' ' A' ' 137' ' ' PHE . 44.4 p90 -62.45 122.78 16.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.578 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.433 ' O ' ' O ' ' A' ' 137' ' ' PHE . 45.9 mt-30 -59.46 -122.62 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.313 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 58.0 mtt85 . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 120.812 0.339 . . . . 0.0 110.401 179.81 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.8 pttm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.855 0.359 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.8 t -78.96 129.07 38.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.07 124.48 17.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.452 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -117.73 156.44 28.26 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.3 mt -139.63 108.72 6.05 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.442 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 42' ' ' LEU . 8.6 mp -97.12 130.97 44.32 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.262 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -72.29 -164.54 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -80.08 -34.58 37.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.503 ' C ' HD22 ' A' ' 46' ' ' LEU . 18.1 m-20 -77.54 28.33 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.78 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 45' ' ' ASP . 3.9 mm? -109.77 118.08 35.57 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.069 0.462 . . . . 0.0 110.091 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.62 121.61 35.2 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.115 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -86.39 144.74 8.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -136.26 140.2 43.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.472 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.54 -98.44 1.4 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.41 131.78 2.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.7 m -125.0 133.31 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.766 0.317 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -104.84 169.87 8.2 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.65 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.2 -163.58 20.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -170.76 71.46 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.61 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.8 -146.38 10.54 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -92.68 120.42 33.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.893 0.378 . . . . 0.0 110.539 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.4 tp -119.77 107.21 12.92 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.487 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.514 HE22 ' CG ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -104.74 102.14 11.73 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 179.242 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.5 tt -111.27 137.21 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.254 0.549 . . . . 0.0 111.865 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.2 OUTLIER -127.65 64.26 1.36 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.613 178.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -156.06 -158.87 9.05 Favored Glycine 0 CA--C 1.525 0.695 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.426 -177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.56 120.14 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 121.174 0.511 . . . . 0.0 110.448 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.3 t -99.6 124.91 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.975 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -124.62 91.05 3.36 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.091 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.99 -148.32 20.01 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.786 -0.926 . . . . 0.0 110.786 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -107.7 155.63 19.97 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.893 0.377 . . . . 0.0 110.679 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.3 t -140.87 134.69 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.671 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -128.84 118.56 22.94 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.572 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.6 p -167.43 171.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.572 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -73.42 -64.32 2.53 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -113.95 135.81 53.59 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.773 0.32 . . . . 0.0 110.383 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.8 tp -136.4 121.9 19.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.328 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 51.7 m -126.98 123.33 36.88 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 75' ' ' VAL . 1.1 m -85.93 116.21 28.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.322 0.582 . . . . 0.0 110.56 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.46 -157.88 0.01 OUTLIER Glycine 0 CA--C 1.522 0.513 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.557 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -80.87 -14.84 57.65 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 14.4 p -67.5 -27.22 66.82 Favored 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 119.149 -1.02 . . . . 0.0 108.893 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.72 38.26 63.65 Favored Glycine 0 CA--C 1.521 0.437 0 CA-C-N 115.004 -0.998 . . . . 0.0 114.435 176.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -115.32 114.21 24.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.133 1.466 . . . . 0.0 110.363 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -147.25 114.86 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.457 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.66 107.66 7.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 110.483 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.77 -155.99 27.03 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.7 p -103.97 115.89 31.27 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.3 t -98.09 120.61 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.09 0.471 . . . . 0.0 111.354 -179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -120.39 117.13 26.92 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.624 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -163.32 178.47 8.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.465 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -94.3 -40.22 10.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.01 138.34 24.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.933 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.01 143.95 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.176 0.512 . . . . 0.0 112.002 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -117.21 118.17 31.57 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.189 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.9 t -96.88 130.56 45.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.4 ' H ' HG22 ' A' ' 75' ' ' VAL . 94.8 mtt180 -131.19 20.23 4.87 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -159.79 -150.52 5.87 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.972 -177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' A' ' 79' ' ' GLY . 56.4 ttp85 -106.95 129.26 54.79 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 122.027 0.918 . . . . 0.0 112.754 -177.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.7 p -135.85 130.73 49.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.241 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 97' ' ' VAL . 27.9 m -139.38 130.75 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.409 179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.19 -94.92 0.16 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.32 150.77 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.739 0.304 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 tt -147.38 132.25 10.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.96 0.41 . . . . 0.0 110.564 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.6 m -133.25 112.31 11.57 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.093 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.6 p -158.72 -179.42 8.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.076 0.465 . . . . 0.0 111.253 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -81.91 -55.53 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.61 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -130.18 143.52 50.83 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.958 0.409 . . . . 0.0 110.736 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -148.8 124.6 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.995 0.426 . . . . 0.0 110.667 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.1 mtt-85 -109.47 134.84 51.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.832 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' 107' ' ' LEU . 10.8 mp -96.38 94.0 7.17 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.823 0.344 . . . . 0.0 111.397 -179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 27.2 m-85 -96.04 161.14 14.11 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.674 178.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.568 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 53.63 -153.89 7.92 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.537 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 110' ' ' THR . 18.7 m -65.09 31.88 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 114.882 -0.659 . . . . 0.0 110.85 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.568 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.5 m -45.33 132.34 7.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.997 0.427 . . . . 0.0 110.552 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -146.95 112.1 5.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.312 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.448 ' CG1' HD11 ' A' ' 117' ' ' ILE . 1.9 t -115.71 122.77 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.979 0.419 . . . . 0.0 110.761 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -133.65 111.11 10.35 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.586 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.08 -152.83 24.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -85.8 121.64 28.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.448 HD11 ' CG1' ' A' ' 113' ' ' VAL . 91.6 mt -115.44 142.44 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.137 0.494 . . . . 0.0 110.978 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 53.0 m -142.42 95.2 2.75 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.779 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.528 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -136.57 142.72 43.39 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.687 -179.268 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -78.0 -51.52 10.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.771 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -122.03 129.08 52.13 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.492 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -125.1 148.64 48.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.117 0.484 . . . . 0.0 110.973 -178.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.41 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -134.81 121.93 21.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.501 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.607 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -104.98 128.9 53.47 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.979 0.418 . . . . 0.0 110.997 -179.195 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -121.99 156.47 33.38 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.773 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -40.64 121.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.797 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 109.12 4.88 30.94 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.79 115.45 28.07 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.688 0.28 . . . . 0.0 111.278 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -130.95 103.27 6.45 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.522 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 6.0 p90 -131.1 116.45 17.76 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -122.8 100.0 6.68 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 176.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.4 176.24 33.83 Favored Glycine 0 C--N 1.321 -0.294 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.39 108.29 15.71 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.2 m -93.52 129.98 39.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.569 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 16.3 mt -95.59 126.76 41.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.463 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -84.52 140.26 31.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.501 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -68.72 141.01 55.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.516 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 58.86 98.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.61 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.554 -179.837 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 12.2 mptt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.771 0.32 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.0 t -69.08 -31.29 49.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.277 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 57' ' ' GLU . . . -156.15 163.09 40.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.45 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.404 ' C ' HD12 ' A' ' 41' ' ' LEU . 29.9 m -158.15 144.67 17.52 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.967 0.413 . . . . 0.0 111.138 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 41' ' ' LEU . 10.1 mp -103.28 120.51 40.9 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.34 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.6 mp -98.17 110.71 23.25 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.217 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' LEU . 9.8 m -48.75 179.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.965 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -89.09 -31.17 18.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.796 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.28 29.72 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 44' ' ' ALA . 50.6 mt -120.83 139.01 53.75 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.387 0.613 . . . . 0.0 111.262 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.439 ' OG1' ' OE2' ' A' ' 49' ' ' GLU . 4.5 p -132.09 122.99 26.28 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.721 179.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.7 mm -86.69 137.71 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.852 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.545 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 26.8 mp0 -135.41 140.46 44.95 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.26 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' O ' ' OD1' ' A' ' 67' ' ' ASP . . . 78.62 -82.18 1.32 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.411 -1.076 . . . . 0.0 110.411 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.92 138.6 2.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -144.63 148.86 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-O 120.9 0.381 . . . . 0.0 110.653 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -109.73 170.97 7.72 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.122 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.64 -46.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 60.27 87.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.512 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.63 -178.99 32.8 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.493 ' O ' ' HB1' ' A' ' 39' ' ' ALA . 81.2 tt0 -93.78 114.65 26.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.755 0.312 . . . . 0.0 110.326 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -135.92 148.5 48.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.455 0.645 . . . . 0.0 111.206 -179.781 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.517 ' OE1' ' N ' ' A' ' 60' ' ' ILE . 4.3 tp-100 -113.03 115.89 29.06 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.74 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.545 HD13 ' CG2' ' A' ' 64' ' ' VAL . 13.2 tt -115.0 128.85 72.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.414 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' C ' ' OG1' ' A' ' 78' ' ' THR . 35.5 p-10 -117.0 49.63 1.16 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.08 -159.23 8.06 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.8 p -106.52 116.58 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 121.034 0.445 . . . . 0.0 110.323 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.545 ' CG2' HD13 ' A' ' 60' ' ' ILE . 80.6 t -103.76 115.33 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.097 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -124.85 130.85 53.2 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.421 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.57 -169.41 12.91 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.391 -0.683 . . . . 0.0 111.391 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 1.7 p-10 -91.64 108.75 20.12 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.839 0.352 . . . . 0.0 110.51 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.1 p -112.6 142.97 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.515 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -127.7 134.15 49.58 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.358 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.564 HG22 ' N ' ' A' ' 71' ' ' GLY . 7.3 p -167.28 168.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.816 -179.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.564 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -80.36 -68.41 1.48 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -112.86 119.09 36.77 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.978 0.418 . . . . 0.0 109.932 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 tp -113.18 126.24 55.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.766 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.5 HG22 HE22 ' A' ' 59' ' ' GLN . 4.0 m -122.89 117.0 24.57 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.4 t -83.47 111.04 19.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.602 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.34 -160.08 0.01 OUTLIER Glycine 0 CA--C 1.527 0.826 0 CA-C-N 114.907 -1.042 . . . . 0.0 113.346 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -84.73 -23.24 29.38 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 34.9 p -66.7 -25.4 66.52 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 119.21 -0.996 . . . . 0.0 108.657 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.1 39.17 79.54 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-O 118.715 -1.047 . . . . 0.0 114.417 176.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.68 113.28 26.45 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.4 1.6 . . . . 0.0 110.535 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.0 t -148.96 110.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.94 178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.27 107.43 5.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.023 0.439 . . . . 0.0 110.378 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.96 -155.59 26.58 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.3 m -100.66 123.63 45.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -125.47 121.49 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-O 121.15 0.5 . . . . 0.0 110.963 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 86' ' ' TYR . 10.2 m-85 -113.98 123.63 50.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.728 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -157.56 160.74 38.47 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.366 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -83.2 -44.38 15.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.117 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.93 138.08 43.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.685 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.4 p -145.55 145.51 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.177 0.513 . . . . 0.0 111.403 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -133.94 109.8 9.27 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.549 HG12 ' H ' ' A' ' 94' ' ' GLY . 67.0 t -88.92 142.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.288 0.566 . . . . 0.0 112.314 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -137.1 20.23 2.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.549 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.32 -151.18 6.05 Favored Glycine 0 CA--C 1.532 1.144 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.424 -177.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.448 ' O ' ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -107.63 136.68 46.98 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 122.122 0.963 . . . . 0.0 113.055 -177.588 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 96' ' ' VAL . 6.0 p -141.33 125.36 16.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.954 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 97' ' ' VAL . 18.0 m -138.9 130.18 35.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.44 -95.99 0.16 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.27 138.76 11.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 110.486 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.0 tt -141.41 138.81 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-O 121.016 0.436 . . . . 0.0 110.853 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.8 m -133.32 109.46 9.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.792 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.1 t -146.62 164.37 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.15 0.5 . . . . 0.0 111.268 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -86.89 -35.01 19.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.502 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -132.96 121.82 23.36 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.267 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.0 t -126.29 144.15 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.2 mtm-85 -141.49 107.77 5.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.799 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.6 mt -81.19 95.16 6.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.988 0.423 . . . . 0.0 111.139 -179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 92' ' ' VAL . 3.7 m-85 -94.32 163.01 13.61 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.681 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.554 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 52.6 -160.87 2.68 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.081 178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 110' ' ' THR . 2.3 t -65.2 32.23 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.088 0.555 . . . . 0.0 111.134 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.554 ' H ' ' C ' ' A' ' 109' ' ' GLY . 10.7 t -45.12 130.79 7.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.272 0.558 . . . . 0.0 111.735 -177.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -131.48 109.83 10.57 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.658 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 52.9 t -109.86 116.74 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.629 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -133.68 102.65 5.56 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.622 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.1 -148.67 18.72 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -90.67 115.14 27.54 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.81 0.338 . . . . 0.0 110.545 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.427 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 0.5 OUTLIER -98.43 142.56 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.029 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 88.7 m -149.69 119.19 6.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.107 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.433 ' ND1' ' N ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -177.84 157.8 1.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.954 0.406 . . . . 0.0 110.946 -179.777 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -95.57 -34.33 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.169 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -121.45 126.08 48.43 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.118 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -134.24 143.33 47.74 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.436 -179.707 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -135.96 132.21 36.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.175 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 7.6 mtp -112.47 117.24 31.84 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.142 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -105.31 161.1 14.59 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.983 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.7 t -40.56 135.56 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.7 0.286 . . . . 0.0 110.62 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 86.6 9.34 75.41 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.56 118.39 27.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 111.333 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -127.01 112.79 15.65 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 130' ' ' PHE . 1.6 t80 -132.13 109.2 9.8 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 120.691 -0.403 . . . . 0.0 111.848 -178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -129.89 98.96 4.94 Favored 'General case' 0 N--CA 1.461 0.087 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -158.43 177.22 35.18 Favored Glycine 0 C--N 1.32 -0.326 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -81.9 108.86 15.75 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.2 p -88.8 127.5 35.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.875 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.523 HD12 ' N ' ' A' ' 135' ' ' LEU . 10.5 mp -96.24 124.8 40.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.178 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -82.62 143.65 30.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.757 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -97.45 154.78 17.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.31 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -158.01 140.65 14.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.488 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.643 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.786 0.327 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.26 115.58 5.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.663 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.37 88.46 3.11 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.543 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.2 t -78.29 148.29 33.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.382 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 42' ' ' LEU . 2.6 tt -126.94 108.76 11.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.228 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.8 mp -103.77 124.34 48.72 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.9 p -60.44 -178.22 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.336 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.92 -20.74 24.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.655 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -75.2 29.7 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.106 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 44' ' ' ALA . 26.3 mt -125.78 142.87 51.3 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.435 0.636 . . . . 0.0 111.391 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.14 124.31 27.28 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.802 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.07 143.94 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-O 121.034 0.445 . . . . 0.0 111.02 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -134.51 140.32 46.09 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.499 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.99 -68.72 2.25 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.78 142.11 3.45 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -133.25 150.73 32.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 120.854 0.359 . . . . 0.0 110.507 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.45 150.67 34.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.406 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' HG13 ' A' ' 70' ' ' VAL . . . -168.66 80.16 0.1 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -54.07 110.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 0.0 110.678 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 70' ' ' VAL . . . 144.39 -161.83 27.94 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -88.06 118.84 27.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.815 0.34 . . . . 0.0 110.214 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -115.24 107.46 15.31 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.359 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.401 HE21 ' HG ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -102.91 115.4 30.52 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.7 tt -134.99 144.24 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-O 120.931 0.396 . . . . 0.0 111.397 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.1 p-10 -125.03 54.18 1.45 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.297 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.21 -160.42 8.3 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.7 p -109.19 112.14 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 115.462 -0.369 . . . . 0.0 110.508 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.466 ' O ' HG23 ' A' ' 64' ' ' VAL . 1.3 m -106.7 122.3 60.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -124.63 118.7 27.1 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.348 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.88 -147.79 19.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -105.34 119.82 40.02 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.804 0.335 . . . . 0.0 110.32 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.5 t -110.1 129.8 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.439 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.476 ' O ' HG23 ' A' ' 70' ' ' VAL . 40.1 ttp85 -127.55 110.97 13.25 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.365 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.578 HG12 ' N ' ' A' ' 71' ' ' GLY . 69.3 t -157.49 163.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.373 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.578 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -70.89 -62.8 3.41 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -118.28 124.91 48.98 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.758 0.313 . . . . 0.0 110.217 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.557 HD13 ' N ' ' A' ' 74' ' ' THR . 0.2 OUTLIER -111.36 116.18 30.53 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.68 -179.524 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.557 ' N ' HD13 ' A' ' 73' ' ' LEU . 95.2 m -112.01 109.1 18.67 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.967 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 22.4 t -83.56 123.92 39.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.244 0.545 . . . . 0.0 110.788 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.59 -157.95 0.18 Allowed Glycine 0 CA--C 1.525 0.661 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.339 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -83.66 -20.49 33.5 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 25.0 m -66.95 -26.87 67.04 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 119.138 -1.025 . . . . 0.0 108.685 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.13 38.61 67.33 Favored Glycine 0 CA--C 1.523 0.561 0 CA-C-O 118.773 -1.015 . . . . 0.0 114.584 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.09 113.58 26.21 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.316 1.558 . . . . 0.0 110.736 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -148.64 111.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.284 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -137.59 108.61 6.74 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.043 0.449 . . . . 0.0 110.553 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.37 -155.72 26.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.2 m -101.26 115.92 31.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 41.2 t -107.15 117.47 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 111.351 -179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -113.42 124.73 53.12 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.635 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.28 176.62 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.223 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.85 -45.87 10.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.104 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.13 147.46 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.719 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 90' ' ' VAL . 31.7 m -145.58 120.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.164 0.507 . . . . 0.0 111.461 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -106.63 106.24 16.67 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.1 m -93.86 146.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.491 0.662 . . . . 0.0 111.966 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -131.82 22.21 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.738 -1.119 . . . . 0.0 108.095 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -157.35 -151.27 5.96 Favored Glycine 0 CA--C 1.533 1.174 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.555 -177.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLY . 89.2 mtt180 -106.0 133.04 51.36 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.313 1.054 . . . . 0.0 113.709 -176.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.3 t -123.53 108.48 21.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-N 113.858 -1.519 . . . . 0.0 109.176 178.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -117.41 107.63 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.871 0.367 . . . . 0.0 110.341 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 159.16 -106.13 0.28 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -159.6 145.56 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.552 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.3 pt -142.99 143.92 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 91.9 m -133.36 114.47 13.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.979 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.6 m -155.84 169.14 25.08 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.294 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -78.97 -35.08 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.14 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -131.64 143.74 50.53 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.124 0.488 . . . . 0.0 110.945 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 20.9 t -144.85 127.68 10.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -132.8 122.33 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.684 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 107' ' ' LEU . 11.0 mp -93.08 96.11 9.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.358 0.599 . . . . 0.0 111.602 -178.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -93.82 161.52 14.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.718 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.61 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.83 178.18 6.28 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.805 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.0 p -71.87 27.73 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.61 ' H ' ' C ' ' A' ' 109' ' ' GLY . 6.2 p -54.78 168.55 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.294 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 2.4 t80 -150.47 140.18 21.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.5 t -134.69 121.8 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 120.922 0.391 . . . . 0.0 110.468 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -133.42 104.21 6.31 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.437 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 164.2 -158.65 31.33 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -91.13 120.48 32.12 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.764 0.316 . . . . 0.0 110.623 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.2 mt -116.11 142.37 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.54 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 37.8 m -137.56 103.32 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.705 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.481 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -146.31 165.46 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.237 0.542 . . . . 0.0 111.167 -179.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 4.4 mp0 -100.28 -42.04 6.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.393 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -117.88 137.83 52.53 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.455 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.71 149.36 37.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.987 0.423 . . . . 0.0 111.067 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -140.37 147.61 40.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.876 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.508 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 17.3 mmt -129.22 118.8 22.95 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.779 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -108.99 157.61 18.5 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.167 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.411 ' H ' HG22 ' A' ' 126' ' ' THR . 0.0 OUTLIER -43.66 116.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.479 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 115.81 2.1 20.83 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.39 114.65 27.24 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.633 -0.334 . . . . 0.0 111.15 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.545 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 65.2 m-85 -130.67 101.76 5.82 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.508 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 14.5 p90 -132.56 121.82 23.85 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -119.02 100.03 7.1 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 175.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.32 176.25 33.77 Favored Glycine 0 C--N 1.319 -0.415 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -82.49 108.16 15.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.6 t -96.29 119.12 34.2 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.547 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 19.9 mt -97.98 111.76 23.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.723 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -98.21 128.02 44.45 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.413 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.564 ' CG ' ' N ' ' A' ' 138' ' ' GLN . 60.8 t80 -75.18 167.39 22.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.712 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 137' ' ' PHE . 80.5 mm-40 -71.03 116.14 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 68.2 mtp85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.668 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.8 tttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.813 0.34 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' O ' ' A' ' 57' ' ' GLU . 2.8 t 55.62 44.82 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.534 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.27 78.91 2.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.215 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.77 153.02 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.241 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 42' ' ' LEU . 16.1 tp -133.21 109.32 9.35 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.374 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 42' ' ' LEU . 8.5 mp -98.58 118.13 34.58 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.306 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.4 p -54.72 179.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.799 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.498 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -84.34 -31.8 24.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.376 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.85 29.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.364 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 44' ' ' ALA . 4.9 tp -131.18 142.3 50.18 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.555 0.693 . . . . 0.0 111.433 -179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 47' ' ' THR . 13.6 t -138.89 125.06 20.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.583 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.479 ' C ' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -86.6 147.29 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.961 0.41 . . . . 0.0 110.708 -179.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 48' ' ' ILE . 85.2 mt-10 -133.8 140.31 46.84 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.534 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' O ' ' OD1' ' A' ' 67' ' ' ASP . . . 90.71 -106.13 3.33 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.45 113.32 0.56 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.6 p -93.72 136.72 24.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.755 0.312 . . . . 0.0 110.658 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 t -103.15 165.34 11.08 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -173.56 -175.25 41.14 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -172.1 57.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.511 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.01 -140.99 4.22 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 38' ' ' VAL . 66.7 tt0 -94.57 113.15 24.93 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.039 0.447 . . . . 0.0 110.514 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 59' ' ' GLN . 0.2 OUTLIER -108.22 107.64 18.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.721 -179.732 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.443 ' OE1' ' OD1' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -103.89 101.94 11.74 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 64' ' ' VAL . 10.8 tt -113.4 132.53 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.268 0.556 . . . . 0.0 111.736 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -124.91 51.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.736 178.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -143.32 -159.36 7.93 Favored Glycine 0 C--O 1.243 0.708 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.102 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 63' ' ' VAL . 1.7 m -106.37 122.27 59.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.041 0.448 . . . . 0.0 109.914 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' A' ' 60' ' ' ILE . 52.7 t -97.39 123.29 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' H ' HG13 ' A' ' 48' ' ' ILE . 4.2 tppt? -125.08 90.88 3.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.448 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.13 -140.81 9.1 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 50' ' ' GLY . 7.3 p-10 -113.12 150.64 31.86 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.751 0.31 . . . . 0.0 110.545 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.8 t -128.17 127.12 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.795 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -128.53 114.99 17.44 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.679 HG22 ' N ' ' A' ' 71' ' ' GLY . 12.5 p -167.33 175.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.546 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.679 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -73.34 -69.12 1.44 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -112.56 138.26 49.59 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.4 tp -124.05 118.73 27.62 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.001 0.429 . . . . 0.0 110.696 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.57 117.22 32.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.582 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.448 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.2 t -83.4 108.28 15.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.098 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -49.54 -163.92 0.01 OUTLIER Glycine 0 CA--C 1.526 0.761 0 CA-C-N 115.036 -0.983 . . . . 0.0 113.348 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -84.85 -23.91 28.82 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.41 ' OG1' ' C ' ' A' ' 61' ' ' ASP . 46.0 p -66.47 -25.82 66.89 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 119.228 -0.989 . . . . 0.0 108.578 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.62 38.78 72.97 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 114.974 -1.012 . . . . 0.0 114.044 176.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -111.62 113.22 25.47 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 119.152 1.476 . . . . 0.0 110.374 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.8 t -147.71 115.98 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.7 179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -137.86 107.58 6.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.371 . . . . 0.0 110.058 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.7 -155.72 26.76 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.1 m -96.93 145.93 25.44 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -137.25 114.8 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.015 0.436 . . . . 0.0 111.392 -179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -117.39 120.19 37.4 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.685 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -162.09 172.44 15.86 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.121 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -86.17 -37.72 18.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.12 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.45 149.75 34.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.603 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.5 p -149.6 132.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.147 0.499 . . . . 0.0 111.787 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -112.9 128.89 56.59 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.935 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.9 t -109.32 138.31 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 121.151 0.501 . . . . 0.0 112.001 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -137.85 19.75 2.85 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.448 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -159.59 -152.13 6.39 Favored Glycine 0 CA--C 1.533 1.177 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.805 -177.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 83.1 mtt180 -108.67 136.27 48.54 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 122.141 0.972 . . . . 0.0 113.255 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 p -136.45 122.24 28.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.641 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.66 114.33 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.936 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.47 -101.13 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -165.48 141.5 5.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.646 0.26 . . . . 0.0 110.302 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.7 pt -142.42 146.18 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-O 120.986 0.422 . . . . 0.0 111.142 -179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.8 m -132.99 120.57 21.56 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.956 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -156.58 163.17 39.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.836 0.351 . . . . 0.0 111.138 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -85.49 -24.81 27.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.473 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -139.71 122.09 16.06 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.865 0.364 . . . . 0.0 110.528 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.567 HG21 ' ND1' ' A' ' 119' ' ' HIS . 12.1 t -121.47 131.44 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.503 ' NH2' ' OH ' ' A' ' 108' ' ' TYR . 36.7 mtp180 -132.61 107.28 8.33 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.873 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.7 mt -88.32 96.29 10.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.109 0.48 . . . . 0.0 111.621 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.506 ' O ' ' O ' ' A' ' 92' ' ' VAL . 54.1 m-85 -94.2 162.81 13.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.527 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.601 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 59.47 -165.04 10.59 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.254 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.6 m -68.46 31.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.104 -0.548 . . . . 0.0 109.909 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.601 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.5 p -45.61 138.31 4.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.387 0.613 . . . . 0.0 111.627 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.541 ' CZ ' ' OD1' ' A' ' 114' ' ' ASP . 64.1 t80 -136.69 128.45 29.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.864 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.1 t -136.94 118.2 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 121.032 0.444 . . . . 0.0 110.904 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.541 ' OD1' ' CZ ' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -133.39 106.44 7.5 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.297 179.775 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 161.78 -144.57 9.88 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -101.86 102.73 13.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.777 0.323 . . . . 0.0 110.494 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.3 tt -108.12 134.06 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.378 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 78.7 m -133.14 135.88 45.45 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.445 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.567 ' ND1' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -172.01 166.89 6.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.983 0.421 . . . . 0.0 110.861 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -97.43 -34.87 10.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.193 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -128.08 124.54 37.27 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.985 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.63 148.94 47.61 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.043 0.449 . . . . 0.0 110.481 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.79 118.92 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.762 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.4 OUTLIER -105.62 137.17 43.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.597 -179.562 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -124.32 158.93 31.44 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.261 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 126' ' ' THR . 6.5 t -40.83 125.72 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.72 4.39 39.67 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.68 116.4 28.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.734 0.302 . . . . 0.0 111.628 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.495 ' O ' ' CD1' ' A' ' 112' ' ' TYR . 23.5 m-85 -129.6 102.51 6.4 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 9.3 p90 -132.31 119.56 20.93 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -178.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -120.71 100.14 6.94 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.56 176.87 33.78 Favored Glycine 0 C--N 1.321 -0.279 0 N-CA-C 109.777 -1.329 . . . . 0.0 109.777 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -82.19 109.3 16.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 29.4 t -89.22 117.91 28.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.816 -178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.8 mt -100.75 108.94 20.9 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.408 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -95.4 139.81 31.17 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.798 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -93.56 122.29 35.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.186 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -172.01 150.11 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.492 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 52.8 mtm-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.662 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.5 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.845 0.355 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG22 ' N ' ' A' ' 39' ' ' ALA . 7.2 p -164.63 160.28 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.677 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.556 ' N ' HG22 ' A' ' 38' ' ' VAL . . . -127.56 138.01 52.76 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.06 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 p -144.19 150.31 37.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.553 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -127.96 126.57 41.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.544 -179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 mt -107.02 124.26 49.38 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.293 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.0 p -61.23 -167.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.589 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.79 -26.84 21.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.001 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.525 ' C ' HD22 ' A' ' 46' ' ' LEU . 15.2 m-20 -74.83 26.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.804 0.335 . . . . 0.0 110.347 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.525 HD22 ' C ' ' A' ' 45' ' ' ASP . 4.0 mm? -112.35 132.76 54.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.208 0.528 . . . . 0.0 110.5 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.02 120.99 19.8 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.094 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.735 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.5 mp -86.45 135.43 25.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.975 0.417 . . . . 0.0 110.476 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -135.59 130.22 34.12 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.055 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.57 -70.29 2.16 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 151.33 135.98 2.4 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.1 p -137.52 144.07 32.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.1 p -102.77 108.04 19.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.932 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.35 -151.93 19.55 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 70' ' ' VAL . 79.9 tt0 -172.38 144.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.871 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.65 -146.48 50.35 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -82.82 121.41 26.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.857 0.36 . . . . 0.0 110.692 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.8 tp -120.49 107.65 13.13 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.535 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? -94.42 122.06 36.61 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.457 HD13 ' CG2' ' A' ' 64' ' ' VAL . 10.0 tt -135.4 130.96 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.174 0.512 . . . . 0.0 111.559 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 3.3 p30 -120.47 49.62 1.42 Allowed 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.13 -157.89 7.61 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.714 -178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 63' ' ' VAL . 2.8 m -105.29 124.2 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.155 -0.523 . . . . 0.0 109.925 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 60' ' ' ILE . 82.7 t -111.93 110.21 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.75 0.309 . . . . 0.0 111.423 -179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 48' ' ' ILE . 33.7 mtmt -125.18 106.59 10.01 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.424 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.29 -163.84 28.39 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -101.26 106.41 17.6 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.4 p -111.7 142.62 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 121.016 0.436 . . . . 0.0 111.173 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -128.4 136.04 50.35 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.204 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 71' ' ' GLY . 9.9 p -167.69 171.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.573 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.568 ' H ' HG22 ' A' ' 70' ' ' VAL . . . -79.84 -69.39 1.4 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.5 mtt85 -114.29 118.84 35.04 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.5 tp -104.32 131.73 51.34 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.047 0.451 . . . . 0.0 110.847 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 p -124.5 113.53 18.23 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.578 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.7 t -83.19 107.31 14.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.523 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.44 -160.66 0.01 OUTLIER Glycine 0 CA--C 1.526 0.738 0 CA-C-N 114.94 -1.027 . . . . 0.0 113.013 -178.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -84.87 -20.62 30.53 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 89.2 m -66.66 -26.38 67.02 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 119.199 -1.0 . . . . 0.0 109.013 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.11 37.99 65.32 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.104 -0.953 . . . . 0.0 114.244 176.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -111.92 112.9 24.88 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 119.075 1.438 . . . . 0.0 110.285 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 91.9 t -149.14 110.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.098 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -137.0 106.97 6.27 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.16 -154.59 25.67 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.394 -1.083 . . . . 0.0 110.394 -179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 m -105.8 121.59 44.35 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.959 0.409 . . . . 0.0 110.2 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.6 p -122.32 130.06 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.698 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -121.25 133.08 55.14 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.929 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -168.92 167.52 10.8 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.195 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.467 ' N ' ' OE2' ' A' ' 88' ' ' GLU . 1.5 mm-40 -86.68 -41.52 14.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.095 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.34 143.12 39.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.675 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.63 138.36 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.186 0.517 . . . . 0.0 111.77 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -117.83 129.52 55.71 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.103 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.464 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.5 t -107.38 137.72 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.15 0.5 . . . . 0.0 111.852 -178.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -136.2 19.7 3.19 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . -160.35 -152.06 6.42 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.543 -178.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 79' ' ' GLY . 70.5 mtp180 -107.58 135.63 48.71 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.113 0.959 . . . . 0.0 113.36 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.5 p -138.37 125.54 27.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 114.129 -1.396 . . . . 0.0 109.299 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.2 m -139.44 125.52 22.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.999 0.428 . . . . 0.0 111.067 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.75 -93.21 0.13 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -162.68 126.02 2.9 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.81 0.338 . . . . 0.0 110.642 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 pp -126.73 142.08 44.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.225 0.535 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.3 m -133.81 118.13 17.66 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.211 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -164.52 147.42 8.89 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.958 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -74.51 -17.84 60.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.588 ' NE2' ' N ' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -145.06 123.9 12.67 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.779 -179.642 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.588 ' N ' ' NE2' ' A' ' 104' ' ' GLN . 2.8 m -140.53 137.82 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.962 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -128.15 118.03 22.65 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.97 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.614 ' N ' HD12 ' A' ' 107' ' ' LEU . 9.1 mp -87.56 94.91 9.85 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.239 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.464 ' O ' ' O ' ' A' ' 92' ' ' VAL . 9.6 m-85 -94.85 162.01 13.93 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.11 178.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.608 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 66.23 175.04 6.02 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.958 178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.0 p -70.68 28.27 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.608 ' H ' ' C ' ' A' ' 109' ' ' GLY . 9.1 t -59.67 170.24 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.74 -177.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 129' ' ' PHE . 5.3 t80 -146.73 142.67 28.05 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.451 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.7 t -130.76 121.73 50.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 120.986 0.422 . . . . 0.0 110.532 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -133.84 122.51 23.33 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 144.68 -157.08 27.15 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -90.05 123.56 34.03 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 73.5 mt -118.39 126.3 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.108 0.48 . . . . 0.0 111.288 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.5 m -122.78 99.44 6.39 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.24 179.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.535 ' H ' ' HD1' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -140.07 153.56 46.8 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.099 0.476 . . . . 0.0 111.237 -178.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.43 -37.86 10.74 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.767 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -132.13 131.14 42.01 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.886 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.22 149.64 44.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.146 0.498 . . . . 0.0 111.331 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -131.27 132.79 44.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.447 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.478 ' SD ' ' CE1' ' A' ' 130' ' ' PHE . 24.2 mmt -108.95 122.06 46.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.988 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -113.39 150.14 33.1 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.985 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 14.6 t -39.51 135.18 1.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.83 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 97.77 1.7 58.67 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.63 115.4 28.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.688 0.28 . . . . 0.0 111.039 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . 0.551 ' O ' ' CG ' ' A' ' 112' ' ' TYR . 42.9 m-85 -129.92 103.28 6.69 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.478 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 28.1 p90 -132.1 125.62 31.79 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -178.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -126.46 100.39 6.23 Favored 'General case' 0 CA--C 1.518 -0.287 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 176.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -155.66 176.67 33.13 Favored Glycine 0 C--N 1.318 -0.445 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -82.08 108.31 15.46 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.0 t -95.45 125.3 39.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.643 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.8 mt -103.37 109.64 21.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.469 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -94.59 109.15 21.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.667 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -48.54 118.88 2.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.473 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 43.79 -120.93 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.416 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.429 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.3 mttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.801 0.334 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.414 ' H ' ' H ' ' A' ' 39' ' ' ALA . 5.7 p -158.21 -17.58 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.542 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.414 ' H ' ' H ' ' A' ' 38' ' ' VAL . . . -152.64 115.71 4.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.41 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -111.94 157.79 20.25 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.671 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.74 134.94 34.18 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.222 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.0 mt -113.66 135.46 53.91 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.8 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.3 m -64.39 -163.69 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.047 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.523 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.47 -41.2 13.7 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.191 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.5 ' C ' HD22 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -71.89 29.74 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.704 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -113.42 128.43 56.45 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.336 0.588 . . . . 0.0 110.926 -179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.0 p -128.38 108.19 10.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.085 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.1 mm -96.06 146.87 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.112 0.482 . . . . 0.0 111.128 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' GLY . 50.9 mt-10 -102.4 94.49 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.474 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.577 ' C ' ' H ' ' A' ' 67' ' ' ASP . . . -35.01 108.42 0.05 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 67' ' ' ASP . . . 173.45 13.59 0.02 OUTLIER Glycine 0 CA--C 1.519 0.313 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.422 ' H ' ' H ' ' A' ' 51' ' ' GLY . 15.6 m -104.45 151.4 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 115.27 -0.465 . . . . 0.0 110.827 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 27.7 m -135.34 136.47 41.55 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.428 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 55' ' ' GLU . . . 165.57 105.6 0.19 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 54' ' ' GLY . 37.5 mt-10 -51.53 -170.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.792 0.33 . . . . 0.0 111.026 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.95 175.06 39.55 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -82.49 129.0 34.82 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.984 0.421 . . . . 0.0 110.564 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 tp -134.49 108.25 8.01 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -97.95 134.81 40.55 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 60' ' ' ILE . 16.0 tt -135.71 126.62 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.473 . . . . 0.0 111.306 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -113.49 46.41 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.439 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -146.19 -160.2 8.59 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 63' ' ' VAL . 9.1 p -107.49 126.71 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 115.637 -0.281 . . . . 0.0 110.664 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 64' ' ' VAL . 6.3 p -135.74 122.29 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 120.895 0.379 . . . . 0.0 111.21 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 50' ' ' GLY . 52.0 pttt -127.04 144.08 51.12 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.286 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 84' ' ' SER . . . 126.06 -135.68 9.22 Favored Glycine 0 N--CA 1.47 0.9 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' A' ' 50' ' ' GLY . 18.9 t0 -113.52 113.04 24.57 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.125 0.488 . . . . 0.0 110.855 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.6 t -117.0 128.07 74.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.668 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.7 ttm-85 -127.14 126.03 42.21 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.915 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.666 HG22 ' N ' ' A' ' 71' ' ' GLY . 14.8 p -162.89 169.92 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.134 -179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.666 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -73.14 -72.04 1.02 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -114.67 120.51 40.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.242 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.5 tp -104.3 129.6 52.15 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.982 0.42 . . . . 0.0 110.729 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 99.0 m -123.52 112.68 17.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.547 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.6 t -82.63 108.02 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.248 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.8 -159.73 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 CA-C-N 114.881 -1.054 . . . . 0.0 113.147 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -84.85 -23.95 28.79 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.425 ' O ' ' ND1' ' A' ' 80' ' ' HIS . 51.5 m -66.89 -26.31 66.81 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 119.195 -1.002 . . . . 0.0 109.169 -179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.0 39.07 78.12 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-O 118.675 -1.07 . . . . 0.0 114.925 175.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 78' ' ' THR . 5.8 m80 -111.28 112.96 25.1 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 119.439 1.62 . . . . 0.0 110.46 178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.3 t -148.57 110.81 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.778 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 65' ' ' LYS . 26.0 tt0 -138.17 107.09 5.97 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.056 0.455 . . . . 0.0 110.464 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.16 -155.23 26.3 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 109.849 -1.301 . . . . 0.0 109.849 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 66' ' ' GLY . 3.1 m -104.34 129.99 52.2 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.8 p -138.64 146.49 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.09 0.471 . . . . 0.0 111.326 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -136.1 128.99 31.17 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.937 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.406 ' O ' ' OG ' ' A' ' 102' ' ' SER . . . -158.94 140.1 12.99 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.833 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 88' ' ' GLU . 1.2 mm-40 -54.89 -50.44 68.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.222 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.05 146.95 52.39 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.987 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 p -153.1 135.29 6.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 121.13 0.49 . . . . 0.0 111.616 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -119.82 114.96 22.9 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.139 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.464 HG12 ' H ' ' A' ' 94' ' ' GLY . 2.4 t -88.97 136.78 22.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.124 0.488 . . . . 0.0 112.072 -178.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -135.01 19.29 3.45 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 111' ' ' SER . . . -160.12 -152.65 6.61 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.406 -178.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 79' ' ' GLY . 60.7 mtp180 -108.04 134.6 50.7 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 122.188 0.994 . . . . 0.0 113.083 -177.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 96' ' ' VAL . 3.3 p -139.74 119.52 13.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 114.214 -1.357 . . . . 0.0 109.422 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 97' ' ' VAL . 18.6 m -134.9 127.09 48.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.977 0.418 . . . . 0.0 110.778 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 152.17 -87.54 0.14 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -166.31 130.79 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.309 . . . . 0.0 110.399 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -146.47 143.23 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.1 0.476 . . . . 0.0 110.807 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.2 m -132.93 129.67 38.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.112 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 87' ' ' ALA . 17.2 t -154.77 158.63 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.617 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 103' ' ' LYS . 2.0 mptp? -80.36 -34.08 36.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.288 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -143.88 133.12 23.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.865 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 p -145.52 149.33 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 121.072 0.463 . . . . 0.0 111.256 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -140.58 115.79 9.9 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.425 179.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 107' ' ' LEU . 7.6 mp -77.81 96.87 5.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.024 0.44 . . . . 0.0 111.438 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.456 ' O ' ' O ' ' A' ' 92' ' ' VAL . 13.6 m-85 -93.1 161.35 14.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.215 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.578 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 67.59 176.3 9.26 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.573 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 m -73.26 28.02 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.578 ' H ' ' C ' ' A' ' 109' ' ' GLY . 3.0 t -54.84 162.78 1.14 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.984 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -134.7 150.86 50.65 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 114.571 -1.195 . . . . 0.0 109.317 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.5 t -140.41 115.54 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.841 0.353 . . . . 0.0 110.428 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -133.93 106.73 7.42 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.948 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 158.64 -168.94 34.97 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.76 115.44 22.71 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.0 tt -117.81 140.45 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.058 0.456 . . . . 0.0 110.944 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.3 m -136.81 122.06 19.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.685 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.566 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -158.98 167.74 28.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 111.109 -179.188 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.541 ' OE1' ' CG ' ' A' ' 137' ' ' PHE . 9.5 mm-40 -94.3 -44.5 7.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.174 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -126.11 128.06 46.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.463 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.485 HD22 ' CD2' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -128.47 147.63 50.68 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.16 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.22 153.63 49.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.138 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.405 ' O ' ' OE2' ' A' ' 125' ' ' GLU . 4.4 mtp -131.05 132.73 45.12 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.622 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.405 ' OE2' ' O ' ' A' ' 124' ' ' MET . 17.9 mm-40 -122.11 163.15 19.98 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.439 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.0 m -43.76 112.67 0.42 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.183 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 109.61 6.59 28.72 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.39 117.27 28.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.965 0.412 . . . . 0.0 110.779 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -127.89 114.45 17.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -132.16 108.68 9.43 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -128.52 98.57 5.07 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 175.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.87 178.06 34.34 Favored Glycine 0 C--N 1.317 -0.505 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -81.35 109.0 15.44 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.2 t -87.75 135.47 33.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.8 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 12.2 mt -114.45 109.1 17.79 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.133 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -83.77 128.44 34.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.569 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.541 ' CG ' ' OE1' ' A' ' 120' ' ' GLU . 66.6 t80 -64.81 166.47 8.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.779 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.453 ' N ' ' CG ' ' A' ' 137' ' ' PHE . 73.2 mt-30 -69.4 -123.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.362 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.713 0.292 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 38' ' ' VAL . 2.5 t -55.62 -35.09 37.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.4 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -154.94 142.32 19.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.273 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.4 t -150.65 159.28 44.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.793 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.02 108.67 6.6 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.444 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.4 mp -99.71 128.72 45.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.182 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 44' ' ' ALA . 47.0 t -65.69 -168.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.731 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -82.54 -28.66 30.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.746 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.454 ' C ' HD22 ' A' ' 46' ' ' LEU . 39.0 m-20 -69.46 10.17 0.38 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.507 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -102.86 130.1 49.77 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.509 0.671 . . . . 0.0 110.902 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 47' ' ' THR . 6.0 t -138.55 118.8 13.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.322 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 48' ' ' ILE . 1.4 mp -86.89 133.49 29.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -134.99 138.79 44.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.335 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.09 -86.65 1.39 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.81 120.93 0.89 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.21 132.31 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.96 0.41 . . . . 0.0 110.519 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 m -112.54 138.96 48.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.378 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.6 -164.08 30.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -170.01 123.56 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.03 -172.41 20.66 Favored Glycine 0 N--CA 1.464 0.566 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.7 112.94 13.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 0.0 110.275 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.3 tp -109.08 106.97 17.12 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -94.35 110.92 22.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 64' ' ' VAL . 3.5 tt -128.52 125.51 63.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.359 0.599 . . . . 0.0 111.693 -178.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 78' ' ' THR . 0.9 OUTLIER -110.08 52.47 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -141.21 -159.42 7.91 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.498 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.5 t -105.76 125.66 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.124 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 60' ' ' ILE . 96.3 t -110.36 121.73 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 120.909 0.385 . . . . 0.0 111.184 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -124.53 144.16 50.27 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.613 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.89 -160.84 26.55 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -79.92 150.7 30.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.821 0.343 . . . . 0.0 110.545 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 86' ' ' TYR . 2.4 t -132.84 108.9 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.824 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 70' ' ' VAL . 77.8 mtm180 -107.4 110.36 22.32 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.206 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.598 HG12 ' N ' ' A' ' 71' ' ' GLY . 77.8 t -158.04 164.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.256 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.598 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -75.22 -68.06 1.62 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.7 mtm-85 -116.97 118.63 32.94 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.8 tp -102.81 122.65 44.93 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 110.844 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 64.1 m -115.11 115.78 27.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.574 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.452 ' O ' ' O ' ' A' ' 76' ' ' GLY . 2.8 t -82.6 108.81 15.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.973 0.416 . . . . 0.0 110.442 -179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -49.48 -161.1 0.01 OUTLIER Glycine 0 CA--C 1.527 0.842 0 CA-C-N 114.68 -1.145 . . . . 0.0 113.595 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -84.46 -23.31 29.99 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 61' ' ' ASP . 67.3 m -67.03 -25.19 66.16 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.23 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 56.5 38.51 80.83 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-O 118.882 -0.955 . . . . 0.0 114.432 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -112.94 113.48 25.56 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.048 1.424 . . . . 0.0 110.231 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -147.59 112.91 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.311 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -136.96 108.56 6.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.531 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.71 -156.43 27.6 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 m -101.74 116.46 32.78 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -105.11 111.4 34.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.848 0.356 . . . . 0.0 111.395 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 68' ' ' VAL . 58.2 m-85 -114.04 117.78 32.26 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.69 178.49 6.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.031 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -80.2 -56.37 4.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.545 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.54 145.1 49.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.856 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 90' ' ' VAL . 3.7 m -138.7 123.42 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-O 121.132 0.491 . . . . 0.0 111.197 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -104.69 118.02 35.54 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.431 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.505 ' O ' ' O ' ' A' ' 108' ' ' TYR . 21.5 t -98.12 138.78 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 111.803 -178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.8 mtm105 -137.05 19.48 3.0 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.494 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -160.11 -150.92 6.0 Favored Glycine 0 CA--C 1.534 1.219 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.431 -177.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 79' ' ' GLY . 0.1 OUTLIER -106.87 134.23 50.33 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 122.279 1.037 . . . . 0.0 113.404 -177.421 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.9 t -123.24 122.44 65.37 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 113.854 -1.521 . . . . 0.0 109.011 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.3 107.67 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.825 0.345 . . . . 0.0 110.573 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 155.8 -103.35 0.23 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -157.41 144.51 18.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.443 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.488 HG23 HD13 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -147.34 135.8 15.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.675 -179.715 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.4 m -133.34 131.66 40.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.208 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.2 m -165.11 158.03 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -70.33 -17.81 63.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -146.92 144.59 29.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.975 0.417 . . . . 0.0 110.983 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 63.3 t -144.44 137.13 22.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.292 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 46.8 mtp85 -141.58 106.85 5.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.608 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mt -86.1 96.14 9.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.036 0.446 . . . . 0.0 111.706 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 92' ' ' VAL . 50.6 m-85 -94.02 163.02 13.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.552 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.604 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 63.04 -167.49 21.87 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.227 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.2 p -67.9 31.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.185 -0.507 . . . . 0.0 109.805 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.604 ' H ' ' C ' ' A' ' 109' ' ' GLY . 5.2 p -45.43 143.42 1.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.573 0.701 . . . . 0.0 112.032 -177.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -144.86 127.06 15.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.732 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 t -133.97 125.47 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-O 120.964 0.411 . . . . 0.0 111.032 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -132.96 105.21 6.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.637 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 157.5 -145.02 11.23 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.515 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -92.03 123.99 35.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.843 0.354 . . . . 0.0 110.631 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.488 HD13 HG23 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -116.7 139.46 43.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.83 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.2 m -148.37 136.37 20.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.951 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER 178.85 162.8 0.76 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.004 0.43 . . . . 0.0 110.788 -179.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -93.38 -36.54 12.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.694 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -128.38 139.57 52.31 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.583 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -152.53 149.62 28.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.088 0.47 . . . . 0.0 111.057 -179.149 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.446 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -144.05 128.19 17.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.695 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -104.81 119.03 38.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.879 0.371 . . . . 0.0 110.888 -179.245 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.465 ' N ' ' OE1' ' A' ' 125' ' ' GLU . 22.0 mp0 -103.94 157.93 16.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.284 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 t -41.39 144.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.731 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.37 0.19 80.12 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.42 115.88 28.4 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.169 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -129.52 102.04 6.21 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.482 ' N ' ' CD1' ' A' ' 130' ' ' PHE . 12.8 p90 -132.99 122.78 24.73 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -117.88 99.82 7.17 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.86 175.36 34.41 Favored Glycine 0 C--N 1.321 -0.303 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -83.39 109.14 17.06 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 8.2 t -91.07 112.99 25.13 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.0 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.9 mt -98.73 111.41 23.8 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.414 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -111.5 102.55 10.89 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -93.12 135.5 34.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -151.3 63.05 0.89 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.618 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.57 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 mttp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.889 0.375 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.15 -22.23 11.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.582 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -149.37 154.32 38.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.486 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.9 m -163.88 162.55 23.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.773 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.571 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -140.51 128.27 21.74 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.957 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 34.5 mt -100.31 136.95 39.41 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.3 m -63.95 -170.45 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -87.97 -25.63 23.07 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.015 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.5 ' C ' HD22 ' A' ' 46' ' ' LEU . 2.8 m-20 -70.98 16.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.682 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.515 ' H ' ' C ' ' A' ' 44' ' ' ALA . 3.9 mm? -109.08 130.33 55.48 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.324 0.583 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.53 114.45 14.89 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.02 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.5 mm -86.82 146.04 6.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.945 0.402 . . . . 0.0 110.845 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -135.05 138.85 44.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.367 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.28 -67.6 3.59 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 149.41 137.11 2.73 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 m -129.72 151.43 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 120.853 0.359 . . . . 0.0 110.456 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.9 p -107.62 110.11 21.91 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.777 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.22 -146.08 19.48 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.479 ' N ' HG23 ' A' ' 70' ' ' VAL . 77.9 tt0 -173.25 156.44 3.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.766 0.317 . . . . 0.0 110.624 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.86 -147.29 29.86 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -84.93 135.39 34.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.456 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.497 ' C ' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -142.12 108.16 5.2 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.556 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.478 ' N ' HD13 ' A' ' 58' ' ' LEU . 1.3 tm0? -97.53 101.93 13.57 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.583 HG23 ' O ' ' A' ' 60' ' ' ILE . 12.1 tt -98.85 116.44 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.321 -179.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 2.4 p30 -105.67 51.93 0.74 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.87 -159.79 8.47 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.5 p -108.5 112.01 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 121.059 0.457 . . . . 0.0 110.586 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.63 124.81 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.48 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -124.25 128.81 49.72 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.504 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 122.25 -159.57 16.83 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -89.83 128.49 36.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.813 0.34 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -116.88 126.56 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.559 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -123.59 118.9 28.38 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.466 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.628 HG22 ' N ' ' A' ' 71' ' ' GLY . 14.2 p -167.28 169.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.679 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.628 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -64.89 -77.41 0.25 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -114.84 118.77 34.46 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.8 tt -109.28 125.64 52.51 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.686 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.8 p -127.58 124.77 38.94 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.648 0.261 . . . . 0.0 110.57 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 75' ' ' VAL . 1.0 OUTLIER -83.35 114.96 24.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 CA-C-O 121.29 0.567 . . . . 0.0 109.887 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -56.9 -158.04 0.01 OUTLIER Glycine 0 CA--C 1.524 0.613 0 CA-C-N 114.708 -1.133 . . . . 0.0 112.978 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -77.17 -21.24 54.33 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.052 -0.574 . . . . 0.0 112.465 -178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.8 m -67.0 -27.11 67.16 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 119.451 -0.899 . . . . 0.0 108.84 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 54.85 37.03 61.03 Favored Glycine 0 CA--C 1.524 0.634 0 CA-C-O 118.674 -1.07 . . . . 0.0 114.606 175.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -110.3 112.64 24.73 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.643 1.722 . . . . 0.0 110.281 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -149.52 115.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.735 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -139.04 107.03 5.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.014 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.09 -155.31 26.39 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.439 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 10.4 t -102.0 119.01 38.1 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.4 t -103.67 123.54 57.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.956 0.407 . . . . 0.0 111.24 -179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 96.2 m-85 -121.79 118.03 28.02 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.872 179.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -165.07 167.88 17.87 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.784 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' OE1' ' A' ' 104' ' ' GLN . 5.6 mm-40 -80.21 -35.47 36.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.169 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.53 153.66 46.25 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.066 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 28.7 m -149.35 125.78 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.787 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -114.87 116.09 28.01 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.192 178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.475 ' O ' ' O ' ' A' ' 108' ' ' TYR . 5.9 t -96.08 134.27 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.216 0.532 . . . . 0.0 112.426 -178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.438 ' H ' HG22 ' A' ' 75' ' ' VAL . 64.5 mtt-85 -136.97 18.97 3.0 Favored 'General case' 0 N--CA 1.458 -0.049 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.03 -151.66 6.25 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.807 -177.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 79' ' ' GLY . 74.5 mtp180 -107.69 134.46 50.64 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.938 0.875 . . . . 0.0 113.125 -177.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.4 p -138.13 130.45 39.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 114.39 -1.277 . . . . 0.0 109.31 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 97' ' ' VAL . 5.7 p -138.12 115.34 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 121.008 0.432 . . . . 0.0 110.979 -179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 160.91 -87.31 0.11 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -176.69 144.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 100' ' ' ILE . 6.2 pt -142.73 147.01 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 121.123 0.487 . . . . 0.0 111.282 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.2 m -132.84 121.13 22.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.207 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.2 p -162.7 155.53 19.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.693 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -74.71 -31.99 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.67 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.446 ' OE1' ' O ' ' A' ' 88' ' ' GLU . 24.3 mp0 -125.99 132.89 51.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.337 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.44 135.03 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -138.14 111.48 8.01 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.773 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.4 mt -91.3 93.88 9.27 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.338 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.475 ' O ' ' O ' ' A' ' 92' ' ' VAL . 32.3 m-85 -96.49 161.08 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.483 178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.572 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 60.79 -162.7 21.04 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.286 178.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.4 p -67.57 32.12 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.041 -0.579 . . . . 0.0 110.31 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.572 ' H ' ' C ' ' A' ' 109' ' ' GLY . 15.3 t -45.14 129.29 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.281 0.562 . . . . 0.0 111.54 -177.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -132.93 112.15 11.63 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.395 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.62 122.98 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.023 0.44 . . . . 0.0 110.425 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -132.72 107.93 8.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.3 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 151.07 -142.54 9.62 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.462 ' OD1' HD11 ' A' ' 135' ' ' LEU . 28.9 t0 -93.97 130.49 40.06 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.772 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.4 133.96 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.895 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.0 m -143.45 118.14 9.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.004 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.541 ' CD2' ' N ' ' A' ' 119' ' ' HIS . 0.2 OUTLIER -166.58 155.6 10.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.091 0.472 . . . . 0.0 110.953 -179.774 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -87.34 -43.29 12.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.608 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -117.76 136.29 53.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.584 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.14 149.45 41.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.128 0.489 . . . . 0.0 110.833 -179.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -144.96 121.08 10.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.762 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 124' ' ' MET . 1.1 mmt -104.87 134.85 47.3 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.973 0.416 . . . . 0.0 110.817 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 125' ' ' GLU . 36.7 mp0 -125.11 164.99 19.02 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.483 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.5 m -48.97 140.39 9.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.376 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 92.73 -0.03 69.74 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.37 116.0 28.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -129.52 103.56 6.95 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 130' ' ' PHE . 9.2 p90 -130.89 114.86 15.79 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.473 ' NE2' ' N ' ' A' ' 131' ' ' GLN . 3.2 mp0 -114.46 100.23 8.15 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -156.37 176.06 33.86 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -82.43 108.83 16.14 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.2 -1.408 . . . . 0.0 107.2 177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 34.9 t -86.81 117.95 25.88 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.721 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.462 HD11 ' OD1' ' A' ' 116' ' ' ASP . 26.7 mt -95.54 109.74 21.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.343 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -83.62 144.92 29.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.434 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 137' ' ' PHE . 53.9 p90 -73.08 128.91 36.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.706 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -163.45 -42.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.547 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.531 -179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.846 0.355 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.4 m -57.13 -28.53 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.45 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.61 78.32 3.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.546 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.3 t -67.77 154.09 42.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.366 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 42' ' ' LEU . 7.2 tp -140.68 111.99 7.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.58 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.3 mp -101.66 120.75 40.82 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.277 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -52.61 179.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.722 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.51 ' C ' ' H ' ' A' ' 46' ' ' LEU . . . -88.6 -34.98 17.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.74 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -72.79 30.89 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 44' ' ' ALA . 5.5 tp -128.9 143.12 50.8 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.328 0.585 . . . . 0.0 111.106 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 t -133.68 135.83 44.34 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.011 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.56 145.24 7.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.17 0.509 . . . . 0.0 111.171 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -135.21 137.8 43.0 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.17 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.58 -109.11 2.97 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.04 123.53 1.31 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 m -106.24 149.99 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-O 120.771 0.32 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.6 t -142.72 145.8 33.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.497 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.551 ' O ' HG23 ' A' ' 70' ' ' VAL . . . 173.0 97.53 0.11 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -55.93 139.5 46.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.716 0.294 . . . . 0.0 110.618 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.75 -163.35 23.35 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -93.15 116.47 29.06 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 tp -112.43 108.61 17.81 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.826 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.434 HE22 ' CA ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER -100.71 102.21 13.26 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.107 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 76' ' ' GLY . 16.0 tt -109.91 135.07 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 121.096 0.474 . . . . 0.0 111.597 -178.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 78' ' ' THR . 28.4 t70 -125.14 47.12 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.436 ' H ' HG12 ' A' ' 60' ' ' ILE . . . -142.15 -158.83 7.69 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.288 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.1 p -106.34 138.33 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.494 -0.353 . . . . 0.0 110.287 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.3 t -117.76 125.16 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-O 120.868 0.366 . . . . 0.0 111.305 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -124.81 91.33 3.42 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.322 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.02 -155.93 26.74 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.29 155.68 17.38 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.795 0.331 . . . . 0.0 110.625 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.5 t -137.85 136.63 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -127.99 119.42 25.43 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.185 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.676 HG22 ' N ' ' A' ' 71' ' ' GLY . 13.5 p -168.06 171.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.877 0.37 . . . . 0.0 111.111 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.676 ' N ' HG22 ' A' ' 70' ' ' VAL . . . -76.04 -66.67 1.82 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 179.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -114.67 122.78 47.51 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 74' ' ' THR . 2.1 tt -111.27 110.17 20.52 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.881 0.372 . . . . 0.0 110.611 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.506 ' N ' HD23 ' A' ' 73' ' ' LEU . 11.2 m -103.94 118.88 37.72 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.285 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 76' ' ' GLY . 3.5 t -83.77 106.68 14.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.209 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 75' ' ' VAL . . . -50.29 -162.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.709 0 CA-C-N 115.151 -0.932 . . . . 0.0 113.011 -178.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.496 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.7 OUTLIER -84.12 -19.52 34.07 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -178.445 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.496 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 62.8 m -67.17 -26.76 66.8 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 119.187 -1.005 . . . . 0.0 108.857 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 95' ' ' ARG . . . 55.23 37.56 65.06 Favored Glycine 0 CA--C 1.519 0.335 0 CA-C-N 114.963 -1.017 . . . . 0.0 114.172 176.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -112.38 113.67 25.99 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 118.818 1.309 . . . . 0.0 109.784 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -147.58 117.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.548 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -137.85 108.33 6.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.114 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 159.28 -155.8 26.89 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.404 ' OG ' ' CE2' ' A' ' 86' ' ' TYR . 8.2 t -104.74 118.24 36.07 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.9 t -97.58 126.06 50.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.054 0.454 . . . . 0.0 110.977 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.404 ' CE2' ' OG ' ' A' ' 84' ' ' SER . 72.8 m-85 -127.49 117.22 21.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.829 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -164.56 178.41 7.38 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.798 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -91.62 -34.15 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.134 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -146.85 143.8 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.705 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 p -138.52 130.61 38.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.161 0.505 . . . . 0.0 111.452 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.486 ' CD ' HH21 ' A' ' 106' ' ' ARG . 20.5 mt-10 -115.43 106.39 13.92 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.273 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.509 ' O ' ' O ' ' A' ' 108' ' ' TYR . 2.4 t -88.39 135.99 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.439 . . . . 0.0 112.081 -178.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.89 18.97 3.02 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 178.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.431 ' H ' HG12 ' A' ' 92' ' ' VAL . . . -160.38 -153.26 6.86 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.74 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.3 mtp180 -108.59 139.7 43.0 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.51 0.929 . . . . 0.0 113.51 -177.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.5 p -139.65 136.4 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.042 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.82 119.17 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.423 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.78 -99.61 0.19 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -160.89 148.25 15.51 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 pt -143.24 139.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.126 0.489 . . . . 0.0 111.256 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.6 m -133.2 117.36 17.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.579 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.6 t -159.68 166.77 29.89 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.481 -179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -73.65 -47.59 38.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.753 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -128.08 142.96 51.06 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.884 0.373 . . . . 0.0 110.806 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.576 ' O ' HG23 ' A' ' 105' ' ' VAL . 13.5 m -133.46 120.59 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.169 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.486 HH21 ' CD ' ' A' ' 91' ' ' GLU . 56.8 mtm-85 -118.45 107.89 14.36 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.526 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.57 96.57 10.14 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.134 0.492 . . . . 0.0 111.445 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.509 ' O ' ' O ' ' A' ' 92' ' ' VAL . 27.2 m-85 -93.39 162.78 13.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.177 178.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.604 ' C ' ' H ' ' A' ' 111' ' ' SER . . . 64.12 177.8 5.2 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 110' ' ' THR . 2.6 p -71.06 28.84 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 178.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.604 ' H ' ' C ' ' A' ' 109' ' ' GLY . 74.2 m -48.34 158.15 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.853 -177.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -140.27 132.67 28.44 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.558 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.5 p -138.46 124.11 24.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -134.9 116.69 15.03 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.667 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.95 -154.08 25.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.13 134.4 35.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.696 0.284 . . . . 0.0 110.408 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.41 142.26 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 120.968 0.414 . . . . 0.0 110.445 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 43.4 p -149.71 89.3 1.61 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.877 179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.776 ' CE1' HD11 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -140.09 160.83 39.05 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.7 -179.488 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 120' ' ' GLU . 10.8 mp0 -100.73 -32.74 10.57 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.764 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.49 ' C ' HD22 ' A' ' 122' ' ' LEU . 3.5 mp0 -116.72 126.59 53.37 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.905 0.384 . . . . 0.0 110.274 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.776 HD11 ' CE1' ' A' ' 119' ' ' HIS . 4.2 mm? -104.34 134.15 48.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.386 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.408 ' C ' ' SD ' ' A' ' 124' ' ' MET . . . -151.55 128.6 11.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.778 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.575 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -143.39 139.61 30.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.73 -179.441 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.8 mp0 -120.78 172.87 7.58 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.013 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.3 m -42.43 122.89 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.622 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . 105.24 9.57 33.62 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.45 116.97 27.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.041 0.448 . . . . 0.0 111.225 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.42 104.74 7.88 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 130' ' ' PHE . 1.2 t80 -131.62 109.03 9.93 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.018 0.437 . . . . 0.0 111.997 -178.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -131.7 100.27 5.06 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -157.46 178.19 33.92 Favored Glycine 0 C--N 1.317 -0.477 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -80.54 108.31 14.07 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.4 p -97.44 124.74 41.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.185 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 135' ' ' LEU . 10.4 mp -99.32 122.08 41.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.032 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -83.69 118.94 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.435 ' CD1' ' OE2' ' A' ' 120' ' ' GLU . 49.3 t80 -45.01 134.6 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -68.7 -169.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.715 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.692 179.78 . . . . . . . . 0 0 . 1 stop_ save_